3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine

C12H16ClNOS — CID 64904088

IUPAC3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNOS/c1-8-11(14)5-6-12(8)16(15)10-4-2-3-9(13)7-10/h2-4,7-8,11-12H,5-6,14H2,1H3
InChIKeyIDJOWHCUMYRWMM-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.57
Rot. Bonds2

About 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine

3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine (PubChem CID 64904088) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
PubChem CID64904088
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNOS/c1-8-11(14)5-6-12(8)16(15)10-4-2-3-9(13)7-10/h2-4,7-8,11-12H,5-6,14H2,1H3
InChIKeyIDJOWHCUMYRWMM-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine (CID 64904088) is 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
The InChIKey is IDJOWHCUMYRWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-8-11(14)5-6-12(8)16(15)10-4-2-3-9(13)7-10/h2-4,7-8,11-12H,5-6,14H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine?
3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine has a molecular weight of 257.79 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).