3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine

C13H18FNO2S — CID 64903866

IUPAC3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H18FNO2S/c1-9-12(15-2)7-8-13(9)18(16,17)11-5-3-10(14)4-6-11/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyKGMLYNIQWAYZCP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.99
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine

3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64903866) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64903866
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H18FNO2S/c1-9-12(15-2)7-8-13(9)18(16,17)11-5-3-10(14)4-6-11/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyKGMLYNIQWAYZCP-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
3-(4-fluorophenyl)sulfonyl-2-methylcyclopentan-1-amine
CID 64904071
2-(4-fluorophenyl)sulfonylcyclobutan-1-amine
CID 134203404
(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 174917383
3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64904691
N,2-dimethyl-3-methylsulfonylcyclopentan-1-amine
CID 64904895
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
CID 64639620
2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
CID 64906105

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine (CID 64903866) is 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(S(=O)(=O)c2ccc(F)cc2)C1C.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is KGMLYNIQWAYZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-9-12(15-2)7-8-13(9)18(16,17)11-5-3-10(14)4-6-11/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64903866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).