N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C11H19F3N2O2S — CID 55009454

IUPACN-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)8-16(10-4-5-10)19(17,18)7-9-3-1-2-6-15-9/h9-10,15H,1-8H2
InChIKeyJZZBEPQRWOMMGQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.49
Rot. Bonds5

About N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 55009454) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID55009454
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O2S/c12-11(13,14)8-16(10-4-5-10)19(17,18)7-9-3-1-2-6-15-9/h9-10,15H,1-8H2
InChIKeyJZZBEPQRWOMMGQ-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 55009454) is N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is O=S(=O)(CC1CCCCN1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is JZZBEPQRWOMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c12-11(13,14)8-16(10-4-5-10)19(17,18)7-9-3-1-2-6-15-9/h9-10,15H,1-8H2.
What are the key properties of N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 55009454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).