1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide

C7H13F3N2O2S — CID 106217444

IUPAC1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-5(4-11)15(13,14)12-6(2-3-6)7(8,9)10/h5,12H,2-4,11H2,1H3
InChIKeyZETWJYYXTDXBOP-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.35
Rot. Bonds4

About 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide

1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide (PubChem CID 106217444) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
PubChem CID106217444
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-5(4-11)15(13,14)12-6(2-3-6)7(8,9)10/h5,12H,2-4,11H2,1H3
InChIKeyZETWJYYXTDXBOP-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
CID 64585926
N-(2,2-difluoroethyl)propane-2-sulfonamide
CID 79090167
N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
CID 87160176
N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 88593228
3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 88913193
N-(1,1,1-trifluoropropan-2-yl)ethanesulfonamide
CID 89669834
3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
CID 90380215
N-ethyl-3,3,3-trifluoropropane-1-sulfonamide
CID 123601489
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236496

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide?
The IUPAC name of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide (CID 106217444) is 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide is CC(CN)S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide?
The InChIKey is ZETWJYYXTDXBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-5(4-11)15(13,14)12-6(2-3-6)7(8,9)10/h5,12H,2-4,11H2,1H3.
What are the key properties of 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide?
1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide is sourced from PubChem (CID 106217444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).