1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine

C14H22N2S — CID 80651798

IUPAC1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C14H22N2S/c1-11(15)9-12-7-8-14(16-10-12)17-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9,15H2,1H3
InChIKeyREKKDEMAHDCUIE-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.40
Rot. Bonds4

About 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine

1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine (PubChem CID 80651798) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
PubChem CID80651798
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
SMILESCC(N)Cc1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C14H22N2S/c1-11(15)9-12-7-8-14(16-10-12)17-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9,15H2,1H3
InChIKeyREKKDEMAHDCUIE-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
1-(4-cyclopropylsulfanylphenyl)propan-2-amine
CID 117296861
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 80651384
5-(2-aminopropyl)-N-cyclopentyl-N-ethylpyridin-2-amine
CID 80633967
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
5-(2-aminopropyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80634729
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine?
The IUPAC name of 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine (CID 80651798) is 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine is CC(N)Cc1ccc(SC2CCCCC2)nc1.
What is the InChIKey of 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine?
The InChIKey is REKKDEMAHDCUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(15)9-12-7-8-14(16-10-12)17-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9,15H2,1H3.
What are the key properties of 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine?
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine has a molecular weight of 250.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 80651798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).