3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide

C59H112N6O30S6 — CID 160620730

IUPAC3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
SMILESCC(=O)NC1C(O)SC(CO)C(O)C1O.CC(C)C(=O)NC1C(O)SC(CO)C(O)C1O.CC(C)CC(=O)NC1C(O)SC(CO)C(O)C1O.CCC(=O)NC1C(O)SC(CO)C(O)C1O.CCCC(=O)NC1C(O)SC(CO)C(O)C1O.CCCCC(=O)NC1C(O)SC(CO)C(O)C1O
InChIInChI=1S/2C11H21NO5S.2C10H19NO5S.C9H17NO5S.C8H15NO5S/c1-5(2)3-7(14)12-8-10(16)9(15)6(4-13)18-11(8)17;1-2-3-4-7(14)12-8-10(16)9(15)6(5-13)18-11(8)17;1-4(2)9(15)11-6-8(14)7(13)5(3-12)17-10(6)16;1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16;1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15;1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h5-6,8-11,13,15-17H,3-4H2,1-2H3,(H,12,14);6,8-11,13,15-17H,2-5H2,1H3,(H,12,14);4-8,10,12-14,16H,3H2,1-2H3,(H,11,15);5,7-10,12,14-16H,2-4H2,1H3,(H,11,13);4,6-9,11,13-15H,2-3H2,1H3,(H,10,12);4-8,10,12-14H,2H2,1H3,(H,9,11)
InChIKeyRGQYUEJPNJVGBP-UHFFFAOYSA-N
MW1577.96 g/mol
LogP-10.16
Rot. Bonds21

About 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide

3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide (PubChem CID 160620730) has the molecular formula C59H112N6O30S6 and a molecular weight of 1577.96 g/mol. Its IUPAC name is 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide.

Molecular Properties

Compound Name3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
PubChem CID160620730
Molecular FormulaC59H112N6O30S6
Molecular Weight1577.96 g/mol
Exact Mass1576.57
IUPAC Name3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
SMILESCC(=O)NC1C(O)SC(CO)C(O)C1O.CC(C)C(=O)NC1C(O)SC(CO)C(O)C1O.CC(C)CC(=O)NC1C(O)SC(CO)C(O)C1O.CCC(=O)NC1C(O)SC(CO)C(O)C1O.CCCC(=O)NC1C(O)SC(CO)C(O)C1O.CCCCC(=O)NC1C(O)SC(CO)C(O)C1O
InChIInChI=1S/2C11H21NO5S.2C10H19NO5S.C9H17NO5S.C8H15NO5S/c1-5(2)3-7(14)12-8-10(16)9(15)6(4-13)18-11(8)17;1-2-3-4-7(14)12-8-10(16)9(15)6(5-13)18-11(8)17;1-4(2)9(15)11-6-8(14)7(13)5(3-12)17-10(6)16;1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16;1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15;1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h5-6,8-11,13,15-17H,3-4H2,1-2H3,(H,12,14);6,8-11,13,15-17H,2-5H2,1H3,(H,12,14);4-8,10,12-14,16H,3H2,1-2H3,(H,11,15);5,7-10,12,14-16H,2-4H2,1H3,(H,11,13);4,6-9,11,13-15H,2-3H2,1H3,(H,10,12);4-8,10,12-14H,2H2,1H3,(H,9,11)
InChIKeyRGQYUEJPNJVGBP-UHFFFAOYSA-N
XLogP-10.16
TPSA660.12 Ų
H-Bond Donors30
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.96
LogP ≤ 5-10.16
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1036

Analyze 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide with MolForge

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Related Compounds

N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
CID 126705030
N-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 10125697
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxythian-3-yl]acetamide
CID 54078355
N-[1-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-methyl-1,4-dioxohexan-3-yl]-2-aminododecanamide
CID 70882079
N-[1-[[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-methyl-1,4-dioxohexan-3-yl]-2-aminodecanamide
CID 59335270
N-[1-[[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-methyl-1,4-dioxohexan-3-yl]-2-aminododecanamide
CID 59335289
N-[(2R,3R,4R,5S,6R)-2-(6-aminohexoxy)-4,5-dihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide
CID 90473050
N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
CID 155614587
N-[2-butoxy-4,5-dihydroxy-6-(hydroxymethyl)-8-oxabicyclo[5.1.0]octan-3-yl]acetamide
CID 163850772
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide?
The IUPAC name of 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide (CID 160620730) is 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide.
What is the SMILES notation for 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide?
The canonical SMILES for 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide is CC(=O)NC1C(O)SC(CO)C(O)C1O.CC(C)C(=O)NC1C(O)SC(CO)C(O)C1O.CC(C)CC(=O)NC1C(O)SC(CO)C(O)C1O.CCC(=O)NC1C(O)SC(CO)C(O)C1O.CCCC(=O)NC1C(O)SC(CO)C(O)C1O.CCCCC(=O)NC1C(O)SC(CO)C(O)C1O.
What is the InChIKey of 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide?
The InChIKey is RGQYUEJPNJVGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21NO5S.2C10H19NO5S.C9H17NO5S.C8H15NO5S/c1-5(2)3-7(14)12-8-10(16)9(15)6(4-13)18-11(8)17;1-2-3-4-7(14)12-8-10(16)9(15)6(5-13)18-11(8)17;1-4(2)9(15)11-6-8(14)7(13)5(3-12)17-10(6)16;1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16;1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15;1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h5-6,8-11,13,15-17H,3-4H2,1-2H3,(H,12,14);6,8-11,13,15-17H,2-5H2,1H3,(H,12,14);4-8,10,12-14,16H,3H2,1-2H3,(H,11,15);5,7-10,12,14-16H,2-4H2,1H3,(H,11,13);4,6-9,11,13-15H,2-3H2,1H3,(H,10,12);4-8,10,12-14H,2H2,1H3,(H,9,11).
What are the key properties of 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide?
3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide has a molecular weight of 1577.96 g/mol, XLogP of -10.16, 21 rotatable bonds, 30 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;2-methyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]butanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]pentanamide;N-[2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide is sourced from PubChem (CID 160620730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).