1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine

C13H14ClN3S — CID 80645106

IUPAC1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ncccc2Cl)nc1
InChIInChI=1S/C13H14ClN3S/c1-9(15)7-10-4-5-12(17-8-10)18-13-11(14)3-2-6-16-13/h2-6,8-9H,7,15H2,1H3
InChIKeyNYUGWUYWLDPTLQ-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.17
Rot. Bonds4

About 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine

1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine (PubChem CID 80645106) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
PubChem CID80645106
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ncccc2Cl)nc1
InChIInChI=1S/C13H14ClN3S/c1-9(15)7-10-4-5-12(17-8-10)18-13-11(14)3-2-6-16-13/h2-6,8-9H,7,15H2,1H3
InChIKeyNYUGWUYWLDPTLQ-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]propan-2-amine
CID 81160448
(1R)-1-[2-[(5-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 114056875
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 106927161
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
CID 62755555
(1R)-1-[3-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992849
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 103938223

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine (CID 80645106) is 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(Sc2ncccc2Cl)nc1.
What is the InChIKey of 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
The InChIKey is NYUGWUYWLDPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-9(15)7-10-4-5-12(17-8-10)18-13-11(14)3-2-6-16-13/h2-6,8-9H,7,15H2,1H3.
What are the key properties of 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine?
1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine has a molecular weight of 279.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80645106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).