2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine

C12H16FNOS — CID 64658093

IUPAC2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNOS/c1-14-11-3-2-4-12(11)16(15)10-7-5-9(13)6-8-10/h5-8,11-12,14H,2-4H2,1H3
InChIKeyHYDSQCLXJFUCKE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.07
Rot. Bonds3

About 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine

2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine (PubChem CID 64658093) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
PubChem CID64658093
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNOS/c1-14-11-3-2-4-12(11)16(15)10-7-5-9(13)6-8-10/h5-8,11-12,14H,2-4H2,1H3
InChIKeyHYDSQCLXJFUCKE-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 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine (CID 64658093) is 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The InChIKey is HYDSQCLXJFUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-14-11-3-2-4-12(11)16(15)10-7-5-9(13)6-8-10/h5-8,11-12,14H,2-4H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
2-(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 2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64658093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).