3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

C11H21F3N2O2S — CID 83057936

IUPAC3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1N
InChIInChI=1S/C11H21F3N2O2S/c1-2-9-8-16(6-4-10(9)15)19(17,18)7-3-5-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyHIHRTSHXPIESOR-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.72
Rot. Bonds5

About 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (PubChem CID 83057936) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
PubChem CID83057936
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1N
InChIInChI=1S/C11H21F3N2O2S/c1-2-9-8-16(6-4-10(9)15)19(17,18)7-3-5-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyHIHRTSHXPIESOR-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (CID 83057936) is 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is CCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1N.
What is the InChIKey of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The InChIKey is HIHRTSHXPIESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-2-9-8-16(6-4-10(9)15)19(17,18)7-3-5-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 83057936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).