(2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride

C7H17ClN2OS — CID 119031459

IUPAC(2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)N(C)C.Cl
InChIInChI=1S/C7H16N2OS.ClH/c1-9(2)7(10)6(8)4-5-11-3;/h6H,4-5,8H2,1-3H3;1H/t6-;/m0./s1
InChIKeyUOBGELSLQJIZEA-RGMNGODLSA-N
MW212.75 g/mol
LogP0.58
Rot. Bonds4

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

(2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119031459) has the molecular formula C7H17ClN2OS and a molecular weight of 212.75 g/mol. Its IUPAC name is (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119031459
Molecular FormulaC7H17ClN2OS
Molecular Weight212.75 g/mol
Exact Mass212.08
IUPAC Name(2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)N(C)C.Cl
InChIInChI=1S/C7H16N2OS.ClH/c1-9(2)7(10)6(8)4-5-11-3;/h6H,4-5,8H2,1-3H3;1H/t6-;/m0./s1
InChIKeyUOBGELSLQJIZEA-RGMNGODLSA-N
XLogP0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride (CID 119031459) is (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)N(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is UOBGELSLQJIZEA-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2OS.ClH/c1-9(2)7(10)6(8)4-5-11-3;/h6H,4-5,8H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 212.75 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-dimethyl-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119031459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).