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

C11H16ClNS — CID 43530370

IUPAC3-(2-chlorophenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1ccccc1Cl
InChIInChI=1S/C11H16ClNS/c1-2-9(7-8-13)14-11-6-4-3-5-10(11)12/h3-6,9H,2,7-8,13H2,1H3
InChIKeySTCCEVFTGRGEGH-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.56
Rot. Bonds5

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

3-(2-chlorophenyl)sulfanylpentan-1-amine (PubChem CID 43530370) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanylpentan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanylpentan-1-amine
PubChem CID43530370
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name3-(2-chlorophenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1ccccc1Cl
InChIInChI=1S/C11H16ClNS/c1-2-9(7-8-13)14-11-6-4-3-5-10(11)12/h3-6,9H,2,7-8,13H2,1H3
InChIKeySTCCEVFTGRGEGH-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanylpentan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)sulfanylpentan-1-amine (CID 43530370) is 3-(2-chlorophenyl)sulfanylpentan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanylpentan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)sulfanylpentan-1-amine is CCC(CCN)Sc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanylpentan-1-amine?
The InChIKey is STCCEVFTGRGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-2-9(7-8-13)14-11-6-4-3-5-10(11)12/h3-6,9H,2,7-8,13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)sulfanylpentan-1-amine?
3-(2-chlorophenyl)sulfanylpentan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanylpentan-1-amine is sourced from PubChem (CID 43530370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).