3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine

C13H27NO2S — CID 106734170

IUPAC3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine
SMILESCCC1CCCC(N)(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H27NO2S/c1-4-12-6-5-7-13(14,10-12)8-9-17(15,16)11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyDXKFPZOJNQMREY-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.50
Rot. Bonds5

About 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine

3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine (PubChem CID 106734170) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine
PubChem CID106734170
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine
SMILESCCC1CCCC(N)(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H27NO2S/c1-4-12-6-5-7-13(14,10-12)8-9-17(15,16)11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyDXKFPZOJNQMREY-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106734053
1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
CID 54557959
3-ethyl-1-(methoxymethyl)cyclohexan-1-amine
CID 126977495
4-ethyl-1-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65082935
3-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62594696
2-(1-amino-3-ethylcyclopentyl)ethanol
CID 65239857
2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
CID 106733831
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
CID 71977091
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103007094
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 65421379
2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 106734152

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine (CID 106734170) is 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine is CCC1CCCC(N)(CCS(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is DXKFPZOJNQMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-12-6-5-7-13(14,10-12)8-9-17(15,16)11(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine?
3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106734170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).