N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C6H10F3NO2S — CID 61384898

IUPACN-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10(5-2-3-5)4-6(7,8)9/h5H,2-4H2,1H3
InChIKeyQGNQEJFPIXNPII-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.97
Rot. Bonds3

About N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 61384898) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID61384898
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10(5-2-3-5)4-6(7,8)9/h5H,2-4H2,1H3
InChIKeyQGNQEJFPIXNPII-UHFFFAOYSA-N
XLogP0.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
CID 14663454
1,1,1-trifluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 17751980
N-(2,2-difluoroethyl)-N-propan-2-ylmethanesulfonamide
CID 57908245
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 58435937
N-butyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63932239
N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586295
N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 90425019
1,1,1-trifluoro-N,N-dipropylmethanesulfonamide
CID 125497703
N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 126630314
1-Methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
CID 129248463
N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
CID 164821552
N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide
CID 164821569

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 61384898) is N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is QGNQEJFPIXNPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-13(11,12)10(5-2-3-5)4-6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 61384898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).