1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid

C12H21NO4S — CID 61065837

IUPAC1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C12H21NO4S/c14-11(15)12(8-4-5-9-12)13-18(16,17)10-6-2-1-3-7-10/h10,13H,1-9H2,(H,14,15)
InChIKeyNRRLKMYCMLTASW-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.64
Rot. Bonds4

About 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid

1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 61065837) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID61065837
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C12H21NO4S/c14-11(15)12(8-4-5-9-12)13-18(16,17)10-6-2-1-3-7-10/h10,13H,1-9H2,(H,14,15)
InChIKeyNRRLKMYCMLTASW-UHFFFAOYSA-N
XLogP1.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
CID 43361680
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid (CID 61065837) is 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)C2CCCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NRRLKMYCMLTASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-11(15)12(8-4-5-9-12)13-18(16,17)10-6-2-1-3-7-10/h10,13H,1-9H2,(H,14,15).
What are the key properties of 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid?
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61065837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).