N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine

C13H28N2O2S — CID 79858645

IUPACN-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
SMILESCNC1(CCN(C)CCS(C)(=O)=O)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-14-13(7-5-4-6-8-13)9-10-15(2)11-12-18(3,16)17/h14H,4-12H2,1-3H3
InChIKeyIBTLPUHSXUJXQJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.28
Rot. Bonds7

About N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine

N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 79858645) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
PubChem CID79858645
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
SMILESCNC1(CCN(C)CCS(C)(=O)=O)CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-14-13(7-5-4-6-8-13)9-10-15(2)11-12-18(3,16)17/h14H,4-12H2,1-3H3
InChIKeyIBTLPUHSXUJXQJ-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-[methyl(propyl)amino]ethyl]cyclohexan-1-amine
CID 65241431
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine
CID 79858912
N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine
CID 70997022
1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241545
N-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 167227168
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
N-methyl-1-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 65241177
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241451
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine (CID 79858645) is N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine is CNC1(CCN(C)CCS(C)(=O)=O)CCCCC1.
What is the InChIKey of N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is IBTLPUHSXUJXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-14-13(7-5-4-6-8-13)9-10-15(2)11-12-18(3,16)17/h14H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine?
N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79858645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).