4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine

C11H24N2O2S — CID 79115090

IUPAC4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
SMILESCCN(CCS(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-13(8-9-16(2,14)15)11-6-4-10(12)5-7-11/h10-11H,3-9,12H2,1-2H3
InChIKeyIVBVQCQQTRZPFC-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.62
Rot. Bonds5

About 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine (PubChem CID 79115090) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
PubChem CID79115090
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
SMILESCCN(CCS(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-13(8-9-16(2,14)15)11-6-4-10(12)5-7-11/h10-11H,3-9,12H2,1-2H3
InChIKeyIVBVQCQQTRZPFC-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
CID 79116151
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 79115353
4-N-ethyl-4-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79612396
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
CID 79115977

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine (CID 79115090) is 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine is CCN(CCS(C)(=O)=O)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine?
The InChIKey is IVBVQCQQTRZPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-13(8-9-16(2,14)15)11-6-4-10(12)5-7-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine has a molecular weight of 248.39 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79115090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).