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

C16H20ClN3S — CID 66148525

IUPAC3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
SMILESCCCNC(CSc1cccc(Cl)c1)c1cnccc1N
InChIInChI=1S/C16H20ClN3S/c1-2-7-20-16(14-10-19-8-6-15(14)18)11-21-13-5-3-4-12(17)9-13/h3-6,8-10,16,20H,2,7,11H2,1H3,(H2,18,19)
InChIKeyKAVCYOFJLUUSMX-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.15
Rot. Bonds7

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

3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine (PubChem CID 66148525) 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-4-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
PubChem CID66148525
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
SMILESCCCNC(CSc1cccc(Cl)c1)c1cnccc1N
InChIInChI=1S/C16H20ClN3S/c1-2-7-20-16(14-10-19-8-6-15(14)18)11-21-13-5-3-4-12(17)9-13/h3-6,8-10,16,20H,2,7,11H2,1H3,(H2,18,19)
InChIKeyKAVCYOFJLUUSMX-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

N-[2-(3-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738384
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66146023
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
N-[1-(2-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086433
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
CID 106815087
3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
CID 113391490
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
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-4-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine (CID 66148525) is 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine is CCCNC(CSc1cccc(Cl)c1)c1cnccc1N.
What is the InChIKey of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine?
The InChIKey is KAVCYOFJLUUSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-7-20-16(14-10-19-8-6-15(14)18)11-21-13-5-3-4-12(17)9-13/h3-6,8-10,16,20H,2,7,11H2,1H3,(H2,18,19).
What are the key properties of 3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine?
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-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-4-amine is sourced from PubChem (CID 66148525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).