N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide

C10H22N2O2S — CID 106161614

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-7(8(6-13)15-5)12-9(14)10(2,3)11-4/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyQOADXSIKDXWHAL-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.21
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide (PubChem CID 106161614) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
PubChem CID106161614
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-7(8(6-13)15-5)12-9(14)10(2,3)11-4/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyQOADXSIKDXWHAL-UHFFFAOYSA-N
XLogP0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 79250627
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
2-methyl-2-(methylamino)-N-propan-2-ylpropanamide
CID 62835801
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 114151192
(2R)-3-hydroxy-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoic acid
CID 80750284
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 103798990
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114151191
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
2-methyl-2-(methylamino)-N-pentan-3-ylpropanamide
CID 62836185
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide (CID 106161614) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is QOADXSIKDXWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-7(8(6-13)15-5)12-9(14)10(2,3)11-4/h7-8,11,13H,6H2,1-5H3,(H,12,14).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 234.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 106161614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).