N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C7H14F3N3O2S — CID 114812927

IUPACN-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)5-13-16(14,15)12-4-6(3-11)1-2-6/h12-13H,1-5,11H2
InChIKeyOKTDELQJVHLCGF-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.29
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114812927) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114812927
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1(CNS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)5-13-16(14,15)12-4-6(3-11)1-2-6/h12-13H,1-5,11H2
InChIKeyOKTDELQJVHLCGF-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114812927) is N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCC1(CNS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is OKTDELQJVHLCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)5-13-16(14,15)12-4-6(3-11)1-2-6/h12-13H,1-5,11H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 261.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114812927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).