3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid

C14H16N2O4S — CID 66031561

IUPAC3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(CS(=O)(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H16N2O4S/c15-8-10-1-3-11(4-2-10)9-21(19,20)16-13-6-5-12(7-13)14(17)18/h1-4,12-13,16H,5-7,9H2,(H,17,18)
InChIKeyBFUPYZRCLOHFHQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.23
Rot. Bonds5

About 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid

3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031561) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66031561
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(CS(=O)(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H16N2O4S/c15-8-10-1-3-11(4-2-10)9-21(19,20)16-13-6-5-12(7-13)14(17)18/h1-4,12-13,16H,5-7,9H2,(H,17,18)
InChIKeyBFUPYZRCLOHFHQ-UHFFFAOYSA-N
XLogP1.23
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
4-[[(4-cyanophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532389
4-[(2-cyano-4-fluorophenyl)methylsulfonylamino]cyclohexane-1-carboxylic acid
CID 122071103
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032155
(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 29266416

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid (CID 66031561) is 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid is N#Cc1ccc(CS(=O)(=O)NC2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is BFUPYZRCLOHFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-8-10-1-3-11(4-2-10)9-21(19,20)16-13-6-5-12(7-13)14(17)18/h1-4,12-13,16H,5-7,9H2,(H,17,18).
What are the key properties of 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).