3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine

C16H20ClN3S — CID 66146023

IUPAC3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(CSc1cccc(Cl)c1)c1cccnc1N
InChIInChI=1S/C16H20ClN3S/c1-2-8-19-15(14-7-4-9-20-16(14)18)11-21-13-6-3-5-12(17)10-13/h3-7,9-10,15,19H,2,8,11H2,1H3,(H2,18,20)
InChIKeyRJXHRVWBNRTIJO-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.15
Rot. Bonds7

About 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine

3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine (PubChem CID 66146023) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
PubChem CID66146023
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(CSc1cccc(Cl)c1)c1cccnc1N
InChIInChI=1S/C16H20ClN3S/c1-2-8-19-15(14-7-4-9-20-16(14)18)11-21-13-6-3-5-12(17)10-13/h3-7,9-10,15,19H,2,8,11H2,1H3,(H2,18,20)
InChIKeyRJXHRVWBNRTIJO-UHFFFAOYSA-N
XLogP4.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
CID 66148525
N-[2-(3-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738384
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086433
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
[2-(3-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105237797
1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine
CID 66147486

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine (CID 66146023) is 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine is CCCNC(CSc1cccc(Cl)c1)c1cccnc1N.
What is the InChIKey of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is RJXHRVWBNRTIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-8-19-15(14-7-4-9-20-16(14)18)11-21-13-6-3-5-12(17)10-13/h3-7,9-10,15,19H,2,8,11H2,1H3,(H2,18,20).
What are the key properties of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 321.88 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 66146023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).