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

C13H18FNOS — CID 64904499

IUPAC3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H18FNOS/c1-9-12(15-2)7-8-13(9)17(16)11-5-3-10(14)4-6-11/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyCHBJYQVJCFCYFB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.32
Rot. Bonds3

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

3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64904499) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64904499
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(F)cc2)C1C
InChIInChI=1S/C13H18FNOS/c1-9-12(15-2)7-8-13(9)17(16)11-5-3-10(14)4-6-11/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyCHBJYQVJCFCYFB-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine (CID 64904499) is 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(S(=O)c2ccc(F)cc2)C1C.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is CHBJYQVJCFCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-9-12(15-2)7-8-13(9)17(16)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)sulfinyl-N,2-dimethylcyclopentan-1-amine?
3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64904499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).