3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine

C16H20ClN3S — CID 66143025

IUPAC3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(CSc1ccc(Cl)cc1)c1cccnc1N
InChIInChI=1S/C16H20ClN3S/c1-2-9-19-15(14-4-3-10-20-16(14)18)11-21-13-7-5-12(17)6-8-13/h3-8,10,15,19H,2,9,11H2,1H3,(H2,18,20)
InChIKeyYEGBCFDNQZLHTA-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.15
Rot. Bonds7

About 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine

3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine (PubChem CID 66143025) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
PubChem CID66143025
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(CSc1ccc(Cl)cc1)c1cccnc1N
InChIInChI=1S/C16H20ClN3S/c1-2-9-19-15(14-4-3-10-20-16(14)18)11-21-13-7-5-12(17)6-8-13/h3-8,10,15,19H,2,9,11H2,1H3,(H2,18,20)
InChIKeyYEGBCFDNQZLHTA-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

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Related Compounds

3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66146023
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747
N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
N-[2-(4-chlorophenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 66143413
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
CID 66148525
1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
5-chloro-3-[1-(ethylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66065811
3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66064996
N-[2-(3-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738384

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine (CID 66143025) is 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine is CCCNC(CSc1ccc(Cl)cc1)c1cccnc1N.
What is the InChIKey of 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is YEGBCFDNQZLHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-9-19-15(14-4-3-10-20-16(14)18)11-21-13-7-5-12(17)6-8-13/h3-8,10,15,19H,2,9,11H2,1H3,(H2,18,20).
What are the key properties of 3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine?
3-[2-(4-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-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 66143025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).