[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine

C14H22N2OS — CID 81333036

IUPAC[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine
SMILESCC1CCCC(S(=O)Cc2cccnc2CN)C1
InChIInChI=1S/C14H22N2OS/c1-11-4-2-6-13(8-11)18(17)10-12-5-3-7-16-14(12)9-15/h3,5,7,11,13H,2,4,6,8-10,15H2,1H3
InChIKeyQBQPPJWJBYLYOA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.37
Rot. Bonds4

About [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine

[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine (PubChem CID 81333036) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine
PubChem CID81333036
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine
SMILESCC1CCCC(S(=O)Cc2cccnc2CN)C1
InChIInChI=1S/C14H22N2OS/c1-11-4-2-6-13(8-11)18(17)10-12-5-3-7-16-14(12)9-15/h3,5,7,11,13H,2,4,6,8-10,15H2,1H3
InChIKeyQBQPPJWJBYLYOA-UHFFFAOYSA-N
XLogP2.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 62721365
[2-[3-(3-methylcyclohexyl)sulfinylpropoxy]phenyl]methanamine
CID 81332910
5-[(3-methylcyclohexyl)sulfinylmethyl]pyridin-2-amine
CID 112741758
2-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 106594093
4-fluoro-3-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 107453551
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64658201
1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64658392
3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
CID 62721197
N'-[(3-ethyl-2-pyridinyl)methyl]cyclopentanecarboximidamide
CID 82753773
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine (CID 81333036) is [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine is CC1CCCC(S(=O)Cc2cccnc2CN)C1.
What is the InChIKey of [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine?
The InChIKey is QBQPPJWJBYLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-2-6-13(8-11)18(17)10-12-5-3-7-16-14(12)9-15/h3,5,7,11,13H,2,4,6,8-10,15H2,1H3.
What are the key properties of [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine?
[3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylcyclohexyl)sulfinylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 81333036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).