4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine

C14H16ClN3S — CID 66146419

IUPAC4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
SMILESNc1cc(CC(N)CSc2cccc(Cl)c2)ccn1
InChIInChI=1S/C14H16ClN3S/c15-11-2-1-3-13(8-11)19-9-12(16)6-10-4-5-18-14(17)7-10/h1-5,7-8,12H,6,9,16H2,(H2,17,18)
InChIKeyJTIWBYIJXSTSLR-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.98
Rot. Bonds5

About 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine

4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine (PubChem CID 66146419) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
PubChem CID66146419
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
SMILESNc1cc(CC(N)CSc2cccc(Cl)c2)ccn1
InChIInChI=1S/C14H16ClN3S/c15-11-2-1-3-13(8-11)19-9-12(16)6-10-4-5-18-14(17)7-10/h1-5,7-8,12H,6,9,16H2,(H2,17,18)
InChIKeyJTIWBYIJXSTSLR-UHFFFAOYSA-N
XLogP2.98
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1-(3-chlorophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66147872
1-(3-chlorophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66146421
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098008
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462
1-(3-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66146631
1-(3-chlorophenyl)sulfanylhex-5-yn-2-amine
CID 66148918
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145999

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine?
The IUPAC name of 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine (CID 66146419) is 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine?
The canonical SMILES for 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine is Nc1cc(CC(N)CSc2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine?
The InChIKey is JTIWBYIJXSTSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-11-2-1-3-13(8-11)19-9-12(16)6-10-4-5-18-14(17)7-10/h1-5,7-8,12H,6,9,16H2,(H2,17,18).
What are the key properties of 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine?
4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine has a molecular weight of 293.82 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine is sourced from PubChem (CID 66146419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).