1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine

C12H25NO2S — CID 62724580

IUPAC1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCC1(CNC)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-16(14,15)10-9-12(11-13-2)7-5-4-6-8-12/h13H,3-11H2,1-2H3
InChIKeyJZWCHUIUNKUUGJ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine

1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 62724580) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
PubChem CID62724580
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCC1(CNC)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-16(14,15)10-9-12(11-13-2)7-5-4-6-8-12/h13H,3-11H2,1-2H3
InChIKeyJZWCHUIUNKUUGJ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
CID 65194813
1-(1-ethylcyclohexyl)-N-methylmethanamine;formaldehyde
CID 143085262
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475
N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62725178
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine (CID 62724580) is 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine is CCS(=O)(=O)CCC1(CNC)CCCCC1.
What is the InChIKey of 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is JZWCHUIUNKUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-16(14,15)10-9-12(11-13-2)7-5-4-6-8-12/h13H,3-11H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 62724580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).