6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine

C14H15ClN2S — CID 80887449

IUPAC6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2S/c1-2-10-16-13-4-3-5-14(17-13)18-12-8-6-11(15)7-9-12/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyVGMRECKASNSENY-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.71
Rot. Bonds5

About 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine

6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine (PubChem CID 80887449) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
PubChem CID80887449
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2S/c1-2-10-16-13-4-3-5-14(17-13)18-12-8-6-11(15)7-9-12/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyVGMRECKASNSENY-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007
N-propyl-6-pyridin-4-ylsulfanylpyridin-2-amine
CID 80890762
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80893381
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80924040
6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80794389
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine (CID 80887449) is 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine is CCCNc1cccc(Sc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine?
The InChIKey is VGMRECKASNSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-10-16-13-4-3-5-14(17-13)18-12-8-6-11(15)7-9-12/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine?
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine is sourced from PubChem (CID 80887449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).