1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C15H31NO2S — CID 65097991

IUPAC1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CC(C)CCC1C(C)C
InChIInChI=1S/C15H31NO2S/c1-5-19(17,18)10-6-9-15(16)11-13(4)7-8-14(15)12(2)3/h12-14H,5-11,16H2,1-4H3
InChIKeyFXWRELDCHMRWBJ-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.99
Rot. Bonds6

About 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 65097991) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID65097991
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CC(C)CCC1C(C)C
InChIInChI=1S/C15H31NO2S/c1-5-19(17,18)10-6-9-15(16)11-13(4)7-8-14(15)12(2)3/h12-14H,5-11,16H2,1-4H3
InChIKeyFXWRELDCHMRWBJ-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 65097991) is 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CCS(=O)(=O)CCCC1(N)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is FXWRELDCHMRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-19(17,18)10-6-9-15(16)11-13(4)7-8-14(15)12(2)3/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 65097991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).