3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine

C12H15ClFNOS — CID 113318108

IUPAC3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNOS/c1-7-11(15)4-5-12(7)17(16)8-2-3-10(14)9(13)6-8/h2-3,6-7,11-12H,4-5,15H2,1H3
InChIKeyCAEGIMVKIVLGSL-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.71
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine

3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine (PubChem CID 113318108) has the molecular formula C12H15ClFNOS and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine
PubChem CID113318108
Molecular FormulaC12H15ClFNOS
Molecular Weight275.78 g/mol
Exact Mass275.05
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNOS/c1-7-11(15)4-5-12(7)17(16)8-2-3-10(14)9(13)6-8/h2-3,6-7,11-12H,4-5,15H2,1H3
InChIKeyCAEGIMVKIVLGSL-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine (CID 113318108) is 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The InChIKey is CAEGIMVKIVLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNOS/c1-7-11(15)4-5-12(7)17(16)8-2-3-10(14)9(13)6-8/h2-3,6-7,11-12H,4-5,15H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 113318108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).