2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid

C12H23NO4S — CID 64816256

IUPAC2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCS(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H23NO4S/c1-9(2)7-8-18(16,17)13-11-6-4-3-5-10(11)12(14)15/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyRCVGAWGULJIYFN-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.60
Rot. Bonds6

About 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid

2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64816256) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID64816256
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)CCS(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H23NO4S/c1-9(2)7-8-18(16,17)13-11-6-4-3-5-10(11)12(14)15/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyRCVGAWGULJIYFN-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
CID 114806690
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816642
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816835
N-(4-hydroxycyclohexyl)-3-methylbutane-1-sulfonamide
CID 63856243
4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63855858
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978990

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid (CID 64816256) is 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid is CC(C)CCS(=O)(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RCVGAWGULJIYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9(2)7-8-18(16,17)13-11-6-4-3-5-10(11)12(14)15/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid?
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).