1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine

C12H25NO2S — CID 115643065

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)C1CC(C)CC(C)C1
InChIInChI=1S/C12H25NO2S/c1-9-5-10(2)7-11(6-9)12(13-3)8-16(4,14)15/h9-13H,5-8H2,1-4H3
InChIKeyAMAYJPSUPVXHME-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.69
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine

1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 115643065) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID115643065
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)C1CC(C)CC(C)C1
InChIInChI=1S/C12H25NO2S/c1-9-5-10(2)7-11(6-9)12(13-3)8-16(4,14)15/h9-13H,5-8H2,1-4H3
InChIKeyAMAYJPSUPVXHME-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
CID 75422581
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735
N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64629737
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64630557
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754878
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757996
N-(3-methylsulfonylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759309
3,3,3-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061842

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine (CID 115643065) is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine is CNC(CS(C)(=O)=O)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is AMAYJPSUPVXHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9-5-10(2)7-11(6-9)12(13-3)8-16(4,14)15/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine?
1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 115643065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).