(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine

C16H25NO2S — CID 104988816

IUPAC(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine
SMILESCC1CC(C)CC(C(N)c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C16H25NO2S/c1-11-7-12(2)9-14(8-11)16(17)13-5-4-6-15(10-13)20(3,18)19/h4-6,10-12,14,16H,7-9,17H2,1-3H3
InChIKeyIFZLJBBGJVGCHI-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.16
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine

(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine (PubChem CID 104988816) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine
PubChem CID104988816
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine
SMILESCC1CC(C)CC(C(N)c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C16H25NO2S/c1-11-7-12(2)9-14(8-11)16(17)13-5-4-6-15(10-13)20(3,18)19/h4-6,10-12,14,16H,7-9,17H2,1-3H3
InChIKeyIFZLJBBGJVGCHI-UHFFFAOYSA-N
XLogP3.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylsulfonylphenyl)-(oxan-3-yl)methanamine
CID 107139201
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105017402
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344134
[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105312315
3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 116937380
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine (CID 104988816) is (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine is CC1CC(C)CC(C(N)c2cccc(S(C)(=O)=O)c2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine?
The InChIKey is IFZLJBBGJVGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-7-12(2)9-14(8-11)16(17)13-5-4-6-15(10-13)20(3,18)19/h4-6,10-12,14,16H,7-9,17H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine?
(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine has a molecular weight of 295.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 104988816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).