4-(4-methylcyclohexyl)sulfanylpyridin-3-amine

C12H18N2S — CID 64748714

IUPAC4-(4-methylcyclohexyl)sulfanylpyridin-3-amine
SMILESCC1CCC(Sc2ccncc2N)CC1
InChIInChI=1S/C12H18N2S/c1-9-2-4-10(5-3-9)15-12-6-7-14-8-11(12)13/h6-10H,2-5,13H2,1H3
InChIKeyBHLMRCAEOXYHAM-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine

4-(4-methylcyclohexyl)sulfanylpyridin-3-amine (PubChem CID 64748714) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)sulfanylpyridin-3-amine
PubChem CID64748714
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name4-(4-methylcyclohexyl)sulfanylpyridin-3-amine
SMILESCC1CCC(Sc2ccncc2N)CC1
InChIInChI=1S/C12H18N2S/c1-9-2-4-10(5-3-9)15-12-6-7-14-8-11(12)13/h6-10H,2-5,13H2,1H3
InChIKeyBHLMRCAEOXYHAM-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine?
The IUPAC name of 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine (CID 64748714) is 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine is CC1CCC(Sc2ccncc2N)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine?
The InChIKey is BHLMRCAEOXYHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-2-4-10(5-3-9)15-12-6-7-14-8-11(12)13/h6-10H,2-5,13H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine?
4-(4-methylcyclohexyl)sulfanylpyridin-3-amine has a molecular weight of 222.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 64748714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).