1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide

C5H7F3N2O2S — CID 63227151

IUPAC1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C5H7F3N2O2S/c6-5(7,8)1-3-10-13(11,12)4-2-9/h10H,1,3-4H2
InChIKeySVKCPCYHAGZNJS-UHFFFAOYSA-N
MW216.18 g/mol
LogP0.38
Rot. Bonds4

About 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide

1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 63227151) has the molecular formula C5H7F3N2O2S and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID63227151
Molecular FormulaC5H7F3N2O2S
Molecular Weight216.18 g/mol
Exact Mass216.02
IUPAC Name1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C5H7F3N2O2S/c6-5(7,8)1-3-10-13(11,12)4-2-9/h10H,1,3-4H2
InChIKeySVKCPCYHAGZNJS-UHFFFAOYSA-N
XLogP0.38
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 63227151) is 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide is N#CCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is SVKCPCYHAGZNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2S/c6-5(7,8)1-3-10-13(11,12)4-2-9/h10H,1,3-4H2.
What are the key properties of 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide?
1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 216.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,3,3-trifluoropropyl)methanesulfonamide is sourced from PubChem (CID 63227151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).