4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine

C15H29NO2S — CID 81013167

IUPAC4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(C2CCCC(S(C)(=O)=O)C2)C1
InChIInChI=1S/C15H29NO2S/c1-3-11-7-8-15(16)14(9-11)12-5-4-6-13(10-12)19(2,17)18/h11-15H,3-10,16H2,1-2H3
InChIKeySFWBEQWRHORARN-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.74
Rot. Bonds3

About 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine

4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine (PubChem CID 81013167) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
PubChem CID81013167
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(C2CCCC(S(C)(=O)=O)C2)C1
InChIInChI=1S/C15H29NO2S/c1-3-11-7-8-15(16)14(9-11)12-5-4-6-13(10-12)19(2,17)18/h11-15H,3-10,16H2,1-2H3
InChIKeySFWBEQWRHORARN-UHFFFAOYSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 81014827
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
CID 81010799
2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
CID 81014609
1-ethyl-4-methylsulfonylcycloheptane
CID 58832068
N-[[2-(3-methylsulfonylcyclohexyl)cyclopentyl]methyl]propan-1-amine
CID 81034468
N-[[2-(3-methylsulfonylcyclohexyl)cyclobutyl]methyl]propan-1-amine
CID 81017516
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
2-methyl-4-(3-methylsulfonylcyclohexyl)piperidine
CID 106780697
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-ethyl-dimethyl-λ4-sulfane
CID 126695185
3-[(3-methylsulfonylcyclohexyl)sulfonylmethyl]azetidine
CID 81197481
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine (CID 81013167) is 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine is CCC1CCC(N)C(C2CCCC(S(C)(=O)=O)C2)C1.
What is the InChIKey of 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
The InChIKey is SFWBEQWRHORARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-3-11-7-8-15(16)14(9-11)12-5-4-6-13(10-12)19(2,17)18/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 81013167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).