(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride

C10H23ClN2O3S2 — CID 21086125

IUPAC(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](NS(=O)(=O)CCC(C)C)C(N)=O.Cl
InChIInChI=1S/C10H22N2O3S2.ClH/c1-8(2)5-7-17(14,15)12-9(10(11)13)4-6-16-3;/h8-9,12H,4-7H2,1-3H3,(H2,11,13);1H/t9-;/m0./s1
InChIKeyHRPJFJQYBODQIS-FVGYRXGTSA-N
MW318.89 g/mol
LogP0.98
Rot. Bonds9

About (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 21086125) has the molecular formula C10H23ClN2O3S2 and a molecular weight of 318.89 g/mol. Its IUPAC name is (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID21086125
Molecular FormulaC10H23ClN2O3S2
Molecular Weight318.89 g/mol
Exact Mass318.08
IUPAC Name(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](NS(=O)(=O)CCC(C)C)C(N)=O.Cl
InChIInChI=1S/C10H22N2O3S2.ClH/c1-8(2)5-7-17(14,15)12-9(10(11)13)4-6-16-3;/h8-9,12H,4-7H2,1-3H3,(H2,11,13);1H/t9-;/m0./s1
InChIKeyHRPJFJQYBODQIS-FVGYRXGTSA-N
XLogP0.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride (CID 21086125) is (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](NS(=O)(=O)CCC(C)C)C(N)=O.Cl.
What is the InChIKey of (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is HRPJFJQYBODQIS-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H22N2O3S2.ClH/c1-8(2)5-7-17(14,15)12-9(10(11)13)4-6-16-3;/h8-9,12H,4-7H2,1-3H3,(H2,11,13);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 21086125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).