1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine

C14H15ClN2S — CID 112585012

IUPAC1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Sc2ccccc2Cl)cn1
InChIInChI=1S/C14H15ClN2S/c1-2-12(16)13-8-7-10(9-17-13)18-14-6-4-3-5-11(14)15/h3-9,12H,2,16H2,1H3
InChIKeyTULMNDJAPAXIDS-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.30
Rot. Bonds4

About 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine

1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine (PubChem CID 112585012) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
PubChem CID112585012
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Sc2ccccc2Cl)cn1
InChIInChI=1S/C14H15ClN2S/c1-2-12(16)13-8-7-10(9-17-13)18-14-6-4-3-5-11(14)15/h3-9,12H,2,16H2,1H3
InChIKeyTULMNDJAPAXIDS-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 103938223
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
(1S)-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-amine
CID 103938185
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine (CID 112585012) is 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(Sc2ccccc2Cl)cn1.
What is the InChIKey of 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The InChIKey is TULMNDJAPAXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-12(16)13-8-7-10(9-17-13)18-14-6-4-3-5-11(14)15/h3-9,12H,2,16H2,1H3.
What are the key properties of 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine has a molecular weight of 278.81 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112585012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).