N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide

C5H8F3NO2S — CID 90425019

IUPACN-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C1CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-9(4-2-3-4)12(10,11)5(6,7)8/h4H,2-3H2,1H3
InChIKeyDJBMGKUPLBEFQE-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.93
Rot. Bonds2

About N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide

N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 90425019) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID90425019
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC NameN-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C1CC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-9(4-2-3-4)12(10,11)5(6,7)8/h4H,2-3H2,1H3
InChIKeyDJBMGKUPLBEFQE-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 90425019) is N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(C1CC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is DJBMGKUPLBEFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-9(4-2-3-4)12(10,11)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 203.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 90425019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).