(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride

C10H23ClN2O3S2 — CID 87710817

IUPAC(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@](N)(C(N)=O)S(=O)(=O)CCC(C)C.Cl
InChIInChI=1S/C10H22N2O3S2.ClH/c1-8(2)4-7-17(14,15)10(12,9(11)13)5-6-16-3;/h8H,4-7,12H2,1-3H3,(H2,11,13);1H/t10-;/m1./s1
InChIKeyHFFLMFFNSVCTBV-HNCPQSOCSA-N
MW318.89 g/mol
LogP0.76
Rot. Bonds8

About (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride

(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 87710817) has the molecular formula C10H23ClN2O3S2 and a molecular weight of 318.89 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID87710817
Molecular FormulaC10H23ClN2O3S2
Molecular Weight318.89 g/mol
Exact Mass318.08
IUPAC Name(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@](N)(C(N)=O)S(=O)(=O)CCC(C)C.Cl
InChIInChI=1S/C10H22N2O3S2.ClH/c1-8(2)4-7-17(14,15)10(12,9(11)13)5-6-16-3;/h8H,4-7,12H2,1-3H3,(H2,11,13);1H/t10-;/m1./s1
InChIKeyHFFLMFFNSVCTBV-HNCPQSOCSA-N
XLogP0.76
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide
CID 87710818
(2S)-2-amino-3-methyl-2-methylsulfonylbutanamide
CID 90750255
(2R)-2-amino-3-methyl-2-methylsulfonylbutanamide
CID 142794624
2-Amino-3-methyl-2-methylsulfonylbutanamide
CID 145341192
(2S)-2-(3-methylbutylsulfonylamino)-4-methylsulfanylbutanamide;hydrochloride
CID 21086125
2-Amino-2-methyl-4-(2-methylsulfonylethylsulfanyl)butanamide
CID 63659954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride (CID 87710817) is (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@](N)(C(N)=O)S(=O)(=O)CCC(C)C.Cl.
What is the InChIKey of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is HFFLMFFNSVCTBV-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H22N2O3S2.ClH/c1-8(2)4-7-17(14,15)10(12,9(11)13)5-6-16-3;/h8H,4-7,12H2,1-3H3,(H2,11,13);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride?
(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 87710817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).