1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

C8H11F3N2O2S — CID 106213601

IUPAC1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O2S/c1-2-6(5-12)16(14,15)13-7(3-4-7)8(9,10)11/h6,13H,2-4H2,1H3
InChIKeyMBUTXBUKHTYDOF-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.30
Rot. Bonds4

About 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (PubChem CID 106213601) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
PubChem CID106213601
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC Name1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O2S/c1-2-6(5-12)16(14,15)13-7(3-4-7)8(9,10)11/h6,13H,2-4H2,1H3
InChIKeyMBUTXBUKHTYDOF-UHFFFAOYSA-N
XLogP1.30
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.30
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-(2-cyanobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059830
N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059831
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]methanesulfonamide
CID 106213600
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106213610
N-(1-cyanocyclopropyl)propane-2-sulfonamide
CID 130929294
N-(2-cyanobutan-2-yl)cyclopropanesulfonamide
CID 64552412

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (CID 106213601) is 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The InChIKey is MBUTXBUKHTYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S/c1-2-6(5-12)16(14,15)13-7(3-4-7)8(9,10)11/h6,13H,2-4H2,1H3.
What are the key properties of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide has a molecular weight of 256.25 g/mol, XLogP of 1.30, 4 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]propane-1-sulfonamide is sourced from PubChem (CID 106213601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).