1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine

C13H27NO2S — CID 65421379

IUPAC1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCC1(N)CCC(C(C)C)CC1
InChIInChI=1S/C13H27NO2S/c1-4-17(15,16)10-9-13(14)7-5-12(6-8-13)11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyUQSAXMNNLCBNBL-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.35
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine

1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 65421379) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID65421379
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCC1(N)CCC(C(C)C)CC1
InChIInChI=1S/C13H27NO2S/c1-4-17(15,16)10-9-13(14)7-5-12(6-8-13)11(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyUQSAXMNNLCBNBL-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
CID 65151467
1-(2-ethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 82920282
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
CID 65240022
1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 130515407
4-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62619918
1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
CID 83158864
1-(2-methylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 62596905
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425267
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine (CID 65421379) is 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine is CCS(=O)(=O)CCC1(N)CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is UQSAXMNNLCBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-17(15,16)10-9-13(14)7-5-12(6-8-13)11(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine?
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65421379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).