2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid

C13H23NO4S — CID 64673131

IUPAC2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C13H23NO4S/c15-12(16)10-13(8-4-5-9-13)14-19(17,18)11-6-2-1-3-7-11/h11,14H,1-10H2,(H,15,16)
InChIKeyCFYBFJXOSKOGGX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid

2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid (PubChem CID 64673131) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
PubChem CID64673131
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C13H23NO4S/c15-12(16)10-13(8-4-5-9-13)14-19(17,18)11-6-2-1-3-7-11/h11,14H,1-10H2,(H,15,16)
InChIKeyCFYBFJXOSKOGGX-UHFFFAOYSA-N
XLogP2.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672752
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
CID 119217995
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid (CID 64673131) is 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid is O=C(O)CC1(NS(=O)(=O)C2CCCCC2)CCCC1.
What is the InChIKey of 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid?
The InChIKey is CFYBFJXOSKOGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c15-12(16)10-13(8-4-5-9-13)14-19(17,18)11-6-2-1-3-7-11/h11,14H,1-10H2,(H,15,16).
What are the key properties of 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid?
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid has a molecular weight of 289.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64673131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).