2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide

C10H21NO3S — CID 79681883

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSCC(O)CO
InChIInChI=1S/C10H21NO3S/c1-7(2)8(3)11-10(14)6-15-5-9(13)4-12/h7-9,12-13H,4-6H2,1-3H3,(H,11,14)
InChIKeyBDIITTMNNZUXCH-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.23
Rot. Bonds7

About 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 79681883) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID79681883
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSCC(O)CO
InChIInChI=1S/C10H21NO3S/c1-7(2)8(3)11-10(14)6-15-5-9(13)4-12/h7-9,12-13H,4-6H2,1-3H3,(H,11,14)
InChIKeyBDIITTMNNZUXCH-UHFFFAOYSA-N
XLogP0.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide
CID 134590482
2-(2,3-dihydroxypropylamino)-N-(3-methylbutan-2-yl)acetamide
CID 66171224
2-(3-aminobutylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 66234177
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methoxypropyl)acetamide
CID 79683287
(3R)-3-hydroxy-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 89065731
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94828776
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 79682116
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
(2R)-3-[(2R)-2,3-dihydroxypropyl]sulfanyl-2-(octadecanoylamino)propanoic acid
CID 22826128

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide (CID 79681883) is 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CSCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is BDIITTMNNZUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7(2)8(3)11-10(14)6-15-5-9(13)4-12/h7-9,12-13H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 235.35 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79681883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).