[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine

C12H15Cl2NOS — CID 81333789

IUPAC[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
SMILESNCC1CCCC1S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NOS/c13-10-5-4-9(6-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2
InChIKeyHOLPQGDBLJDHEG-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.23
Rot. Bonds3

About [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine

[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine (PubChem CID 81333789) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
PubChem CID81333789
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
SMILESNCC1CCCC1S(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NOS/c13-10-5-4-9(6-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2
InChIKeyHOLPQGDBLJDHEG-UHFFFAOYSA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine (CID 81333789) is [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine is NCC1CCCC1S(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine?
The InChIKey is HOLPQGDBLJDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c13-10-5-4-9(6-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3,7,15H2.
What are the key properties of [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine?
[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine has a molecular weight of 292.23 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine is sourced from PubChem (CID 81333789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).