3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine

C12H15F2NOS — CID 64724478

IUPAC3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H15F2NOS/c1-15-8-2-3-9(6-8)17(16)10-4-5-11(13)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyBNCSSTIGKKPQAY-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.21
Rot. Bonds3

About 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine

3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine (PubChem CID 64724478) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
PubChem CID64724478
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H15F2NOS/c1-15-8-2-3-9(6-8)17(16)10-4-5-11(13)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyBNCSSTIGKKPQAY-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine (CID 64724478) is 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine is CNC1CCC(S(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
The InChIKey is BNCSSTIGKKPQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-15-8-2-3-9(6-8)17(16)10-4-5-11(13)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine?
3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfinyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64724478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).