3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine

C13H20N2S — CID 62721197

IUPAC3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
SMILESCC1CCCC(SCc2cccnc2N)C1
InChIInChI=1S/C13H20N2S/c1-10-4-2-6-12(8-10)16-9-11-5-3-7-15-13(11)14/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H2,14,15)
InChIKeyQIJCEBGGUFQCOV-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.48
Rot. Bonds3

About 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine

3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62721197) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62721197
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
SMILESCC1CCCC(SCc2cccnc2N)C1
InChIInChI=1S/C13H20N2S/c1-10-4-2-6-12(8-10)16-9-11-5-3-7-15-13(11)14/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H2,14,15)
InChIKeyQIJCEBGGUFQCOV-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylsulfanylmethyl)pyridin-2-amine
CID 63115867
2-bromo-3-[(3-methylcyclohexyl)sulfanylmethyl]aniline
CID 114048829
2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide
CID 63580703
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 114057632
methyl 2-[(3-methylcyclohexyl)sulfanylmethyl]benzoate
CID 82975836
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656
1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138744
3-amino-4-[(3-methylcyclohexyl)sulfanylmethyl]benzamide
CID 62720802
3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64722212
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
CID 104540431

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine (CID 62721197) is 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine is CC1CCCC(SCc2cccnc2N)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is QIJCEBGGUFQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-4-2-6-12(8-10)16-9-11-5-3-7-15-13(11)14/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H2,14,15).
What are the key properties of 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine?
3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 236.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62721197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).