2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide

C6H10F3NO2S — CID 166982836

IUPAC2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
SMILESCC1(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c1-5(2-3-5)10-13(11,12)4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyKQKDTMTUPRXTFL-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.02
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide

2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide (PubChem CID 166982836) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
PubChem CID166982836
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
SMILESCC1(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c1-5(2-3-5)10-13(11,12)4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyKQKDTMTUPRXTFL-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide (CID 166982836) is 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide is CC1(NS(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide?
The InChIKey is KQKDTMTUPRXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-5(2-3-5)10-13(11,12)4-6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide?
2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide is sourced from PubChem (CID 166982836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).