2-(methylamino)-3-methylsulfanylpropanamide

C5H12N2OS — CID 54146412

IUPAC2-(methylamino)-3-methylsulfanylpropanamide
SMILESCNC(CSC)C(N)=O
InChIInChI=1S/C5H12N2OS/c1-7-4(3-9-2)5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
InChIKeyOERPFMYSJLPQJN-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.58
Rot. Bonds4

About 2-(methylamino)-3-methylsulfanylpropanamide

2-(methylamino)-3-methylsulfanylpropanamide (PubChem CID 54146412) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(methylamino)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-(methylamino)-3-methylsulfanylpropanamide
PubChem CID54146412
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-(methylamino)-3-methylsulfanylpropanamide
SMILESCNC(CSC)C(N)=O
InChIInChI=1S/C5H12N2OS/c1-7-4(3-9-2)5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
InChIKeyOERPFMYSJLPQJN-UHFFFAOYSA-N
XLogP-0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874
2,5-bis(methylamino)hexanediamide
CID 66221520
(2R)-2-methyl-3-methylsulfanylpropanamide
CID 118633949
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
2-(methylamino)-3-[[3-oxo-2-(propan-2-ylamino)butyl]disulfanyl]propanamide
CID 91008719
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
3-(methylamino)-4-methylsulfanyl-1-[(1-methylsulfanyl-3-oxobutan-2-yl)amino]butan-2-one
CID 161214194
2-(methylamino)-4-oxobutanamide
CID 130181448
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(methylamino)propanamide
CID 62306355
2-methyl-3-methylsulfanylpropanehydrazide
CID 63580360
3-(methylamino)-4-methylsulfanyl-1-[(1-methylsulfanyl-3-oxobutan-2-yl)amino]butan-2-one;2-[[3-(methylamino)-4-methylsulfanyl-2-oxobutyl]amino]-3-methylsulfanyl-N-tritiopropanamide;nonane;octane
CID 161214192

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-methylsulfanylpropanamide?
The IUPAC name of 2-(methylamino)-3-methylsulfanylpropanamide (CID 54146412) is 2-(methylamino)-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-(methylamino)-3-methylsulfanylpropanamide?
The canonical SMILES for 2-(methylamino)-3-methylsulfanylpropanamide is CNC(CSC)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-methylsulfanylpropanamide?
The InChIKey is OERPFMYSJLPQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-7-4(3-9-2)5(6)8/h4,7H,3H2,1-2H3,(H2,6,8).
What are the key properties of 2-(methylamino)-3-methylsulfanylpropanamide?
2-(methylamino)-3-methylsulfanylpropanamide has a molecular weight of 148.23 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-methylsulfanylpropanamide is sourced from PubChem (CID 54146412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).