N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H23F3N2O2S — CID 65096894

IUPACN-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCS(=O)(=O)CCCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H23F3N2O2S/c1-2-20(18,19)9-3-8-17(10-12(13,14)15)11-4-6-16-7-5-11/h11,16H,2-10H2,1H3
InChIKeyIBYWPXIZABZQDS-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.43
Rot. Bonds7

About N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 65096894) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID65096894
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCS(=O)(=O)CCCN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H23F3N2O2S/c1-2-20(18,19)9-3-8-17(10-12(13,14)15)11-4-6-16-7-5-11/h11,16H,2-10H2,1H3
InChIKeyIBYWPXIZABZQDS-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-(2,2,2-trifluoro-ethyl)-amide
CID 66625054
1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-piperidin-4-ylsulfonylpropane-1-sulfonamide
CID 117808800
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
4-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl)piperidine
CID 151163916
1-(2,2-Difluoropropylsulfonyl)piperidin-4-amine
CID 155399108
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
cis-(1S,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)sulfonylcyclohexan-1-amine
CID 163946893

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 65096894) is N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CCS(=O)(=O)CCCN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is IBYWPXIZABZQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-2-20(18,19)9-3-8-17(10-12(13,14)15)11-4-6-16-7-5-11/h11,16H,2-10H2,1H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 316.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 65096894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).