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

C14H15ClN2S — CID 64537037

IUPAC3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
SMILESNCC(CSc1ncccc1Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2S/c15-13-7-4-8-17-14(13)18-10-12(9-16)11-5-2-1-3-6-11/h1-8,12H,9-10,16H2
InChIKeyAKZSOFKFKOFPDP-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.57
Rot. Bonds5

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

3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine (PubChem CID 64537037) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
PubChem CID64537037
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
SMILESNCC(CSc1ncccc1Cl)c1ccccc1
InChIInChI=1S/C14H15ClN2S/c15-13-7-4-8-17-14(13)18-10-12(9-16)11-5-2-1-3-6-11/h1-8,12H,9-10,16H2
InChIKeyAKZSOFKFKOFPDP-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-phenylsulfanylpropan-1-amine
CID 64536034
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-benzylsulfanyl-3-chloropyridine;formic acid
CID 174946739
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821551
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64631082
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)ethanamine
CID 107525261
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
CID 64631081
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
CID 64813224
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 64630473
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 47138508

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine (CID 64537037) is 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine is NCC(CSc1ncccc1Cl)c1ccccc1.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine?
The InChIKey is AKZSOFKFKOFPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-13-7-4-8-17-14(13)18-10-12(9-16)11-5-2-1-3-6-11/h1-8,12H,9-10,16H2.
What are the key properties of 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine?
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine has a molecular weight of 278.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 64537037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).