2-hydroxy-N-methyl-4-methylsulfanylbutanamide

C6H13NO2S — CID 10329617

IUPAC2-hydroxy-N-methyl-4-methylsulfanylbutanamide
SMILESCNC(=O)C(O)CCSC
InChIInChI=1S/C6H13NO2S/c1-7-6(9)5(8)3-4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyRTZNEWYJXRCWJR-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.15
Rot. Bonds4

About 2-hydroxy-N-methyl-4-methylsulfanylbutanamide

2-hydroxy-N-methyl-4-methylsulfanylbutanamide (PubChem CID 10329617) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-4-methylsulfanylbutanamide
PubChem CID10329617
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-hydroxy-N-methyl-4-methylsulfanylbutanamide
SMILESCNC(=O)C(O)CCSC
InChIInChI=1S/C6H13NO2S/c1-7-6(9)5(8)3-4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyRTZNEWYJXRCWJR-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 10241354
2-hydroxy-N-(2-methoxyethyl)-4-(methylsulfanyl)butanamide
CID 165782658
(2S)-2-hydroxy-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 57751218
(2R)-2-hydroxy-N-(2-methylsulfanylethyl)propanamide
CID 57939546
2-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 88411710
(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide
CID 89088706
2-hydroxy-N-methyl-4-methylsulfinylbutanamide
CID 89683488
N-ethyl-2-hydroxy-3-methylsulfanylpropanamide
CID 123242188
2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 123696026
2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
CID 123895603
2-hydroxy-N-methyl-3-sulfanylpropanamide
CID 140037684
2-hydroxy-3,3-dimethyl-N-(propan-2-ylsulfanylmethyl)butanamide
CID 155424122

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-hydroxy-N-methyl-4-methylsulfanylbutanamide (CID 10329617) is 2-hydroxy-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-hydroxy-N-methyl-4-methylsulfanylbutanamide is CNC(=O)C(O)CCSC.
What is the InChIKey of 2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is RTZNEWYJXRCWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-6(9)5(8)3-4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 2-hydroxy-N-methyl-4-methylsulfanylbutanamide?
2-hydroxy-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 163.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 10329617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).