N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide

C10H17F3N2O2S — CID 55009406

IUPACN-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide
SMILESO=S(=O)(C1CCCNC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(8-3-4-8)18(16,17)9-2-1-5-14-6-9/h8-9,14H,1-7H2
InChIKeyKGRNFHGBHORILI-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.09
Rot. Bonds4

About N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide

N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide (PubChem CID 55009406) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide
PubChem CID55009406
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide
SMILESO=S(=O)(C1CCCNC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(8-3-4-8)18(16,17)9-2-1-5-14-6-9/h8-9,14H,1-7H2
InChIKeyKGRNFHGBHORILI-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide (CID 55009406) is N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide is O=S(=O)(C1CCCNC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide?
The InChIKey is KGRNFHGBHORILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)7-15(8-3-4-8)18(16,17)9-2-1-5-14-6-9/h8-9,14H,1-7H2.
What are the key properties of N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide?
N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 55009406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).