(2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride

C7H19ClN2O2S — CID 86714400

IUPAC(2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)C[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C7H18N2O2S.ClH/c1-6(2)4-7(8)5-12(10,11)9-3;/h6-7,9H,4-5,8H2,1-3H3;1H/t7-;/m0./s1
InChIKeySQIVUHJFGKKHNA-FJXQXJEOSA-N
MW230.76 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride

(2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride (PubChem CID 86714400) has the molecular formula C7H19ClN2O2S and a molecular weight of 230.76 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride
PubChem CID86714400
Molecular FormulaC7H19ClN2O2S
Molecular Weight230.76 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)C[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C7H18N2O2S.ClH/c1-6(2)4-7(8)5-12(10,11)9-3;/h6-7,9H,4-5,8H2,1-3H3;1H/t7-;/m0./s1
InChIKeySQIVUHJFGKKHNA-FJXQXJEOSA-N
XLogP0.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94451359
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CID 120875253
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CID 131228230
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CID 131231626
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CID 61361229
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CID 3401117
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CID 15294684
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CID 16724649
CID 16724649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride (CID 86714400) is (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride is CNS(=O)(=O)C[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride?
The InChIKey is SQIVUHJFGKKHNA-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H18N2O2S.ClH/c1-6(2)4-7(8)5-12(10,11)9-3;/h6-7,9H,4-5,8H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride?
(2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride has a molecular weight of 230.76 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethylpentane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 86714400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).