cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C14H16N2O4S — CID 106321633

IUPACcis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H16N2O4S/c1-9-2-3-10(8-15)6-13(9)21(19,20)16-12-5-4-11(7-12)14(17)18/h2-3,6,11-12,16H,4-5,7H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyGNLBGTGIDTVBCW-NEPJUHHUSA-N
MW308.36 g/mol
LogP1.40
Rot. Bonds4

About cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 106321633) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID106321633
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namecis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H16N2O4S/c1-9-2-3-10(8-15)6-13(9)21(19,20)16-12-5-4-11(7-12)14(17)18/h2-3,6,11-12,16H,4-5,7H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyGNLBGTGIDTVBCW-NEPJUHHUSA-N
XLogP1.40
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
4-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191303
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
3-[(4-cyano-2-methoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045411
cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321577
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998868
4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 106998698
(3R)-1-(5-cyano-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81126966
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 106321633) is cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GNLBGTGIDTVBCW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-2-3-10(8-15)6-13(9)21(19,20)16-12-5-4-11(7-12)14(17)18/h2-3,6,11-12,16H,4-5,7H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).