3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine

C12H16FNOS — CID 64723053

IUPAC3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNOS/c1-14-10-4-7-12(8-10)16(15)11-5-2-9(13)3-6-11/h2-3,5-6,10,12,14H,4,7-8H2,1H3
InChIKeyKDKPUGDIIPDZLC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.07
Rot. Bonds3

About 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine

3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine (PubChem CID 64723053) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
PubChem CID64723053
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNOS/c1-14-10-4-7-12(8-10)16(15)11-5-2-9(13)3-6-11/h2-3,5-6,10,12,14H,4,7-8H2,1H3
InChIKeyKDKPUGDIIPDZLC-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.07
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-methylcyclopentan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine (CID 64723053) is 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine is CNC1CCC(S(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The InChIKey is KDKPUGDIIPDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-14-10-4-7-12(8-10)16(15)11-5-2-9(13)3-6-11/h2-3,5-6,10,12,14H,4,7-8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
3-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.07, 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-methylcyclopentan-1-amine is sourced from PubChem (CID 64723053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).