N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide

C6H12F3NO2S — CID 61384502

IUPACN-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-13(11,12)10(2)5-4-6(7,8)9/h3-5H2,1-2H3
InChIKeySBZTWXSOLGJEKR-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.22
Rot. Bonds4

About N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide

N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 61384502) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID61384502
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-13(11,12)10(2)5-4-6(7,8)9/h3-5H2,1-2H3
InChIKeySBZTWXSOLGJEKR-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 61384502) is N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide is CCS(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is SBZTWXSOLGJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-3-13(11,12)10(2)5-4-6(7,8)9/h3-5H2,1-2H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 61384502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).