(2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride

C6H15ClN2OS — CID 22815139

IUPAC(2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride
SMILESCNC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C6H14N2OS.ClH/c1-8-6(9)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3,(H,8,9);1H/t5-;/m0./s1
InChIKeyYIGYGHCZJVBIHC-JEDNCBNOSA-N
MW198.72 g/mol
LogP0.23
Rot. Bonds4

About (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 22815139) has the molecular formula C6H15ClN2OS and a molecular weight of 198.72 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride
PubChem CID22815139
Molecular FormulaC6H15ClN2OS
Molecular Weight198.72 g/mol
Exact Mass198.06
IUPAC Name(2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride
SMILESCNC(=O)[C@@H](N)CCSC.Cl
InChIInChI=1S/C6H14N2OS.ClH/c1-8-6(9)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3,(H,8,9);1H/t5-;/m0./s1
InChIKeyYIGYGHCZJVBIHC-JEDNCBNOSA-N
XLogP0.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride (CID 22815139) is (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride is CNC(=O)[C@@H](N)CCSC.Cl.
What is the InChIKey of (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is YIGYGHCZJVBIHC-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2OS.ClH/c1-8-6(9)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3,(H,8,9);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 198.72 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 22815139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).