(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid

C11H20O4S — CID 51889995

IUPAC(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
SMILESCC(C)[C@H](C(=O)O)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H20O4S/c1-8(2)10(11(12)13)16(14,15)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyRZCUHVRKXPGBBB-SNVBAGLBSA-N
MW248.34 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid

(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid (PubChem CID 51889995) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
PubChem CID51889995
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
SMILESCC(C)[C@H](C(=O)O)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H20O4S/c1-8(2)10(11(12)13)16(14,15)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyRZCUHVRKXPGBBB-SNVBAGLBSA-N
XLogP1.84
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
2-cycloheptylsulfonylpropanoic acid
CID 82925993
3-[(2-cyclohexylsulfonyl-3-methylbutanoyl)amino]butanoic acid
CID 119220672
N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide
CID 119995772
(3S)-1-[(2R)-2-cyclohexylsulfonyl-3-methylbutanoyl]pyrrolidine-3-carboxamide
CID 98407795
1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
CID 171762763
2-cyclohexylsulfonyl-3-methylbutanenitrile
CID 117037819
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120599357
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
CID 120574654
4-[[(2-cyclohexylsulfonyl-3-methylbutanoyl)-methylamino]methyl]benzoic acid
CID 119225898
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one
CID 120816612

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid?
The IUPAC name of (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid (CID 51889995) is (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid is CC(C)[C@H](C(=O)O)S(=O)(=O)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid?
The InChIKey is RZCUHVRKXPGBBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O4S/c1-8(2)10(11(12)13)16(14,15)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid?
(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid has a molecular weight of 248.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid is sourced from PubChem (CID 51889995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).