2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine

C14H22N2S — CID 103777301

IUPAC2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCSC1CCCCC1NCCc1cccnc1
InChIInChI=1S/C14H22N2S/c1-17-14-7-3-2-6-13(14)16-10-8-12-5-4-9-15-11-12/h4-5,9,11,13-14,16H,2-3,6-8,10H2,1H3
InChIKeyGGZGGZGJCCVBCQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.89
Rot. Bonds5

About 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine

2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (PubChem CID 103777301) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
PubChem CID103777301
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCSC1CCCCC1NCCc1cccnc1
InChIInChI=1S/C14H22N2S/c1-17-14-7-3-2-6-13(14)16-10-8-12-5-4-9-15-11-12/h4-5,9,11,13-14,16H,2-3,6-8,10H2,1H3
InChIKeyGGZGGZGJCCVBCQ-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Anabasine
CID 205586
Nornicotine
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3-(Pyrrolidin-2-yl)pyridine
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(+-)-Anabasine
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Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
(R)-Nornicotine
CID 93047
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618
4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
CID 3642065
Aprikalim
CID 9571083

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (CID 103777301) is 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is CSC1CCCCC1NCCc1cccnc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The InChIKey is GGZGGZGJCCVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-17-14-7-3-2-6-13(14)16-10-8-12-5-4-9-15-11-12/h4-5,9,11,13-14,16H,2-3,6-8,10H2,1H3.
What are the key properties of 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 103777301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).