3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine

C14H20ClNOS — CID 64723455

IUPAC3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNOS/c1-2-8-16-12-6-7-14(10-12)18(17)13-5-3-4-11(15)9-13/h3-5,9,12,14,16H,2,6-8,10H2,1H3
InChIKeyCUYRDGWMZQIISJ-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.37
Rot. Bonds5

About 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine

3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine (PubChem CID 64723455) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
PubChem CID64723455
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNOS/c1-2-8-16-12-6-7-14(10-12)18(17)13-5-3-4-11(15)9-13/h3-5,9,12,14,16H,2,6-8,10H2,1H3
InChIKeyCUYRDGWMZQIISJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.37
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-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine (CID 64723455) is 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine is CCCNC1CCC(S(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
The InChIKey is CUYRDGWMZQIISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-8-16-12-6-7-14(10-12)18(17)13-5-3-4-11(15)9-13/h3-5,9,12,14,16H,2,6-8,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine?
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64723455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).