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

C7H13F3N2O2S — CID 106217450

IUPAC3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(2-3-6)12-15(13,14)5-1-4-11/h12H,1-5,11H2
InChIKeyAYZUUZIMVDXTMD-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.35
Rot. Bonds5

About 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (PubChem CID 106217450) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
PubChem CID106217450
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(2-3-6)12-15(13,14)5-1-4-11/h12H,1-5,11H2
InChIKeyAYZUUZIMVDXTMD-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 24691755
N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 88593228
2-amino-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115406477
N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
CID 118692691
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236496
2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236498
3-Amino-4,4,4-trifluorobutane-2-sulfonamide
CID 153638558
2-amino-N-(2,2-difluoropropyl)ethanesulfonamide
CID 157027081
2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
1-(difluoromethyl)-N-propan-2-ylcyclopropane-1-sulfonamide
CID 167378554
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(2,2-difluorocyclopropyl)propane-2-sulfonamide
CID 170176065

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (CID 106217450) is 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is NCCCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The InChIKey is AYZUUZIMVDXTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)6(2-3-6)12-15(13,14)5-1-4-11/h12H,1-5,11H2.
What are the key properties of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is sourced from PubChem (CID 106217450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).