1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine

C14H22N2S — CID 102545029

IUPAC1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(C(C)N)cnc1SC1CCCCC1
InChIInChI=1S/C14H22N2S/c1-10-8-12(11(2)15)9-16-14(10)17-13-6-4-3-5-7-13/h8-9,11,13H,3-7,15H2,1-2H3
InChIKeyBDNXJUGOGFLWFI-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.83
Rot. Bonds3

About 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine

1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine (PubChem CID 102545029) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine
PubChem CID102545029
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(C(C)N)cnc1SC1CCCCC1
InChIInChI=1S/C14H22N2S/c1-10-8-12(11(2)15)9-16-14(10)17-13-6-4-3-5-7-13/h8-9,11,13H,3-7,15H2,1-2H3
InChIKeyBDNXJUGOGFLWFI-UHFFFAOYSA-N
XLogP3.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
CID 124501600
2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
CID 102545034
5-methyl-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 62721519
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine
CID 124503157
4-cyclohexylsulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430245
1-(5-cyclopentylsulfanyl-2-pyridinyl)ethanamine
CID 83124069
6-cyclohexylsulfanylpyrimidin-4-amine
CID 80885379
2-(6-cyclohexylsulfanyl-5-methylpyrimidin-4-yl)ethynamine
CID 149399886
N-[[5-methyl-6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650758
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798
3-cyclohexylsulfanyl-1-methylpyrazol-4-amine
CID 103079571
2-cycloheptylsulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 82925766

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine (CID 102545029) is 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine is Cc1cc(C(C)N)cnc1SC1CCCCC1.
What is the InChIKey of 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine?
The InChIKey is BDNXJUGOGFLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-8-12(11(2)15)9-16-14(10)17-13-6-4-3-5-7-13/h8-9,11,13H,3-7,15H2,1-2H3.
What are the key properties of 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine?
1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 102545029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).