(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine

C13H14ClN3S — CID 103938223

IUPAC(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ncccc2Cl)cn1
InChIInChI=1S/C13H14ClN3S/c1-2-11(15)12-6-5-9(8-17-12)18-13-10(14)4-3-7-16-13/h3-8,11H,2,15H2,1H3/t11-/m0/s1
InChIKeyRUFNKCWLJKPUKT-NSHDSACASA-N
MW279.80 g/mol
LogP3.69
Rot. Bonds4

About (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine

(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine (PubChem CID 103938223) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
PubChem CID103938223
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ncccc2Cl)cn1
InChIInChI=1S/C13H14ClN3S/c1-2-11(15)12-6-5-9(8-17-12)18-13-10(14)4-3-7-16-13/h3-8,11H,2,15H2,1H3/t11-/m0/s1
InChIKeyRUFNKCWLJKPUKT-NSHDSACASA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine (CID 103938223) is (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Sc2ncccc2Cl)cn1.
What is the InChIKey of (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine?
The InChIKey is RUFNKCWLJKPUKT-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-2-11(15)12-6-5-9(8-17-12)18-13-10(14)4-3-7-16-13/h3-8,11H,2,15H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine?
(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine has a molecular weight of 279.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).