N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

C17H33NO2S — CID 64751898

IUPACN-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C17H33NO2S/c1-5-18-16-11-13(3)9-14(4)17(16)21(19,20)15-8-6-7-12(2)10-15/h12-18H,5-11H2,1-4H3
InChIKeyUHZIEEPRECCXCB-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.39
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (PubChem CID 64751898) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
PubChem CID64751898
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC NameN-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C17H33NO2S/c1-5-18-16-11-13(3)9-14(4)17(16)21(19,20)15-8-6-7-12(2)10-15/h12-18H,5-11H2,1-4H3
InChIKeyUHZIEEPRECCXCB-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552
N-ethyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676033
N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759816
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
3,5-dimethyl-2-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclohexan-1-amine
CID 107758193
2-cyclobutyloxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752392
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfonylcyclohexan-1-amine
CID 64753066
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64752897
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (CID 64751898) is N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1S(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The InChIKey is UHZIEEPRECCXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-5-18-16-11-13(3)9-14(4)17(16)21(19,20)15-8-6-7-12(2)10-15/h12-18H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine has a molecular weight of 315.52 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64751898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).