1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NO2S — CID 65098315

IUPAC1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2S/c1-2-19(17,18)9-3-6-11(16)7-4-10(5-8-11)12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyXIBAQIDEBADSPA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.65
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65098315) has the molecular formula C12H22F3NO2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65098315
Molecular FormulaC12H22F3NO2S
Molecular Weight301.37 g/mol
Exact Mass301.13
IUPAC Name1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2S/c1-2-19(17,18)9-3-6-11(16)7-4-10(5-8-11)12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyXIBAQIDEBADSPA-UHFFFAOYSA-N
XLogP2.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 65098315) is 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is CCS(=O)(=O)CCCC1(N)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XIBAQIDEBADSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2S/c1-2-19(17,18)9-3-6-11(16)7-4-10(5-8-11)12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 301.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65098315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).