N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide

C7H13F3N2O2S — CID 115308001

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(CN)(NS(=O)(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N2O2S/c1-6(4-11,5-2-3-5)12-15(13,14)7(8,9)10/h5,12H,2-4,11H2,1H3
InChIKeyLKFTUGREBWLNIB-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.55
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 115308001) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID115308001
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(CN)(NS(=O)(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N2O2S/c1-6(4-11,5-2-3-5)12-15(13,14)7(8,9)10/h5,12H,2-4,11H2,1H3
InChIKeyLKFTUGREBWLNIB-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-N-(propan-2-ylsulfamoyl)propane-1,2-diamine
CID 114811253
N-(1-amino-2-cyclopropylpropan-2-yl)cyclopentanesulfonamide
CID 115752437
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103806938
1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
CID 115307789
N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
CID 115307942
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 119981759

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 115308001) is N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide is CC(CN)(NS(=O)(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is LKFTUGREBWLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-6(4-11,5-2-3-5)12-15(13,14)7(8,9)10/h5,12H,2-4,11H2,1H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 115308001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).