N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

C9H18F3NO2S — CID 61357190

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C9H18F3NO2S/c1-7(2)5-13(6-9(10,11)12)16(14,15)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyABKOYARSKDYSLS-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.24
Rot. Bonds5

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 61357190) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID61357190
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C9H18F3NO2S/c1-7(2)5-13(6-9(10,11)12)16(14,15)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyABKOYARSKDYSLS-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 61357190) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is ABKOYARSKDYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-7(2)5-13(6-9(10,11)12)16(14,15)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 61357190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).