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

C5H10F3NO2S — CID 61384586

IUPACN-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESCN(CCC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-9(12(2,10)11)4-3-5(6,7)8/h3-4H2,1-2H3
InChIKeyVVUPNHSCINYXQV-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.83
Rot. Bonds3

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

N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 61384586) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID61384586
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESCN(CCC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-9(12(2,10)11)4-3-5(6,7)8/h3-4H2,1-2H3
InChIKeyVVUPNHSCINYXQV-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.83
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)methanesulfonamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 61384586) is N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide is CN(CCC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is VVUPNHSCINYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-9(12(2,10)11)4-3-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
N-methyl-N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.83, 3 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)methanesulfonamide is sourced from PubChem (CID 61384586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).