(2-cyclohexylsulfanyl-4-pyridinyl)methanamine

C12H18N2S — CID 60887048

IUPAC(2-cyclohexylsulfanyl-4-pyridinyl)methanamine
SMILESNCc1ccnc(SC2CCCCC2)c1
InChIInChI=1S/C12H18N2S/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h6-8,11H,1-5,9,13H2
InChIKeyWNVFIOOGVHPUDL-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.97
Rot. Bonds3

About (2-cyclohexylsulfanyl-4-pyridinyl)methanamine

(2-cyclohexylsulfanyl-4-pyridinyl)methanamine (PubChem CID 60887048) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is (2-cyclohexylsulfanyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-cyclohexylsulfanyl-4-pyridinyl)methanamine
PubChem CID60887048
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name(2-cyclohexylsulfanyl-4-pyridinyl)methanamine
SMILESNCc1ccnc(SC2CCCCC2)c1
InChIInChI=1S/C12H18N2S/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h6-8,11H,1-5,9,13H2
InChIKeyWNVFIOOGVHPUDL-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine
CID 62996477
(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
CID 82809229
(4-cyclohexylsulfanylpyrimidin-2-yl)hydrazine
CID 80922698
6-cyclohexylsulfanylpyrimidin-4-amine
CID 80885379
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
4-(aminomethyl)-N-(2-cyclohexylethyl)pyridine-2-carboxamide
CID 115117078
(3-cyclopentylsulfanylpyrazin-2-yl)methanamine
CID 63115420
2-[[4-(aminomethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 54994992
4-cyclopentylsulfanylpyrimidine-2-carboxylic acid
CID 130588092
3-cyclopentylsulfanylisoquinoline
CID 132603218
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798
(6-cyclohexylsulfanylpyridazin-3-yl)hydrazine
CID 53353135

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylsulfanyl-4-pyridinyl)methanamine?
The IUPAC name of (2-cyclohexylsulfanyl-4-pyridinyl)methanamine (CID 60887048) is (2-cyclohexylsulfanyl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-cyclohexylsulfanyl-4-pyridinyl)methanamine?
The canonical SMILES for (2-cyclohexylsulfanyl-4-pyridinyl)methanamine is NCc1ccnc(SC2CCCCC2)c1.
What is the InChIKey of (2-cyclohexylsulfanyl-4-pyridinyl)methanamine?
The InChIKey is WNVFIOOGVHPUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h6-8,11H,1-5,9,13H2.
What are the key properties of (2-cyclohexylsulfanyl-4-pyridinyl)methanamine?
(2-cyclohexylsulfanyl-4-pyridinyl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylsulfanyl-4-pyridinyl)methanamine is sourced from PubChem (CID 60887048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).