N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide

C6H12F2N2O2S — CID 115456923

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C6H12F2N2O2S/c7-5(8)13(11,12)10-4-6(3-9)1-2-6/h5,10H,1-4,9H2
InChIKeyKKYCEOYMODUSCI-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.13
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 115456923) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID115456923
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C6H12F2N2O2S/c7-5(8)13(11,12)10-4-6(3-9)1-2-6/h5,10H,1-4,9H2
InChIKeyKKYCEOYMODUSCI-UHFFFAOYSA-N
XLogP-0.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide
CID 58044349
N-[[1-(trifluoromethyl)cyclopropyl]methyl]methanesulfonamide
CID 69564211
N-[[1-(fluoromethyl)cyclopropyl]methyl]methanesulfonamide
CID 130421768
N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057952
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide
CID 114759066
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812927
N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365904
N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide
CID 131206726
N-[[1-(aminomethyl)cyclopropyl]methyl]methanesulfonamide
CID 115456980

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide (CID 115456923) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide is NCC1(CNS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is KKYCEOYMODUSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c7-5(8)13(11,12)10-4-6(3-9)1-2-6/h5,10H,1-4,9H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115456923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).