3-(2-chlorophenyl)sulfinylcyclopentan-1-amine

C11H14ClNOS — CID 64722442

IUPAC3-(2-chlorophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCC(S(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)15(14)9-6-5-8(13)7-9/h1-4,8-9H,5-7,13H2
InChIKeyYGDBGKKRLAUPGM-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.33
Rot. Bonds2

About 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine

3-(2-chlorophenyl)sulfinylcyclopentan-1-amine (PubChem CID 64722442) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfinylcyclopentan-1-amine
PubChem CID64722442
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name3-(2-chlorophenyl)sulfinylcyclopentan-1-amine
SMILESNC1CCC(S(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)15(14)9-6-5-8(13)7-9/h1-4,8-9H,5-7,13H2
InChIKeyYGDBGKKRLAUPGM-UHFFFAOYSA-N
XLogP2.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine (CID 64722442) is 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine is NC1CCC(S(=O)c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine?
The InChIKey is YGDBGKKRLAUPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)15(14)9-6-5-8(13)7-9/h1-4,8-9H,5-7,13H2.
What are the key properties of 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine?
3-(2-chlorophenyl)sulfinylcyclopentan-1-amine has a molecular weight of 243.76 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 64722442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).