2-(cyclohexylsulfonylamino)-4-methylpentanoic acid

C12H23NO4S — CID 61065990

IUPAC2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO4S/c1-9(2)8-11(12(14)15)13-18(16,17)10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVJIBBLMFZBJSJX-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds6

About 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid

2-(cyclohexylsulfonylamino)-4-methylpentanoic acid (PubChem CID 61065990) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
PubChem CID61065990
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO4S/c1-9(2)8-11(12(14)15)13-18(16,17)10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyVJIBBLMFZBJSJX-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 107823923
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid (CID 61065990) is 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid is CC(C)CC(NS(=O)(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is VJIBBLMFZBJSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9(2)8-11(12(14)15)13-18(16,17)10-6-4-3-5-7-10/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid?
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 61065990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).