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

C5H13ClN2OS — CID 18531008

IUPAC(2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(N)=O.Cl
InChIInChI=1S/C5H12N2OS.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);1H/t4-;/m0./s1
InChIKeyPWCBMJHINDTXGV-WCCKRBBISA-N
MW184.69 g/mol
LogP-0.03
Rot. Bonds4

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

(2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 18531008) has the molecular formula C5H13ClN2OS and a molecular weight of 184.69 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride
PubChem CID18531008
Molecular FormulaC5H13ClN2OS
Molecular Weight184.69 g/mol
Exact Mass184.04
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(N)=O.Cl
InChIInChI=1S/C5H12N2OS.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);1H/t4-;/m0./s1
InChIKeyPWCBMJHINDTXGV-WCCKRBBISA-N
XLogP-0.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride (CID 18531008) is (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(N)=O.Cl.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is PWCBMJHINDTXGV-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2OS.ClH/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H2,7,8);1H/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 184.69 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 18531008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).