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

C6H10F3NO2S — CID 126768158

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10-5(4-2-3-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyQJPSJBCNPBIFBZ-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.88
Rot. Bonds3

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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 126768158) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID126768158
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-13(11,12)10-5(4-2-3-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyQJPSJBCNPBIFBZ-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide (CID 126768158) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)NC(C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is QJPSJBCNPBIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-13(11,12)10-5(4-2-3-4)6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 126768158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).