1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide

C6H7F3N2O2S — CID 106213600

IUPAC1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3N2O2S/c7-6(8,9)5(1-2-5)11-14(12,13)4-3-10/h11H,1-2,4H2
InChIKeyFPKVSIAXAPXWOA-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.52
Rot. Bonds3

About 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide

1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide (PubChem CID 106213600) has the molecular formula C6H7F3N2O2S and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
PubChem CID106213600
Molecular FormulaC6H7F3N2O2S
Molecular Weight228.19 g/mol
Exact Mass228.02
IUPAC Name1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H7F3N2O2S/c7-6(8,9)5(1-2-5)11-14(12,13)4-3-10/h11H,1-2,4H2
InChIKeyFPKVSIAXAPXWOA-UHFFFAOYSA-N
XLogP0.52
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(2-cyanopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058902
N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106212634
N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106212637
N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 106212638
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106213601
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106213610
2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106217432
3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106217450
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
CID 106217525
1-cyano-N-(1-methylcyclopropyl)methanesulfonamide
CID 115766890

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide (CID 106213600) is 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide is N#CCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
The InChIKey is FPKVSIAXAPXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2S/c7-6(8,9)5(1-2-5)11-14(12,13)4-3-10/h11H,1-2,4H2.
What are the key properties of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide?
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide has a molecular weight of 228.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide is sourced from PubChem (CID 106213600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).