(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide

C5H12N2OS — CID 88724377

IUPAC(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
SMILESCNC(=O)[C@@H](CS)NC
InChIInChI=1S/C5H12N2OS/c1-6-4(3-9)5(8)7-2/h4,6,9H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyZZVICWRUKXNUFO-SCSAIBSYSA-N
MW148.23 g/mol
LogP-0.75
Rot. Bonds3

About (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide

(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide (PubChem CID 88724377) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
PubChem CID88724377
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
SMILESCNC(=O)[C@@H](CS)NC
InChIInChI=1S/C5H12N2OS/c1-6-4(3-9)5(8)7-2/h4,6,9H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyZZVICWRUKXNUFO-SCSAIBSYSA-N
XLogP-0.75
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide
CID 154978208
4-hydroxy-N-methyl-2-(methylamino)butanamide
CID 15486716
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2,3-bis(methylamino)but-3-ene-1-thiol
CID 166977704
(2R)-2-fluoro-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxo-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide
CID 139308462
N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
ethyl (2S)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87974217
3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
CID 165386764
(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide
CID 163206284
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide?
The IUPAC name of (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide (CID 88724377) is (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide is CNC(=O)[C@@H](CS)NC.
What is the InChIKey of (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide?
The InChIKey is ZZVICWRUKXNUFO-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-4(3-9)5(8)7-2/h4,6,9H,3H2,1-2H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide?
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide has a molecular weight of 148.23 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide is sourced from PubChem (CID 88724377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).