N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide

C5H12F2N2O2S — CID 61124180

IUPACN-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-5(2,3-8)9-12(10,11)4(6)7/h4,9H,3,8H2,1-2H3
InChIKeyCSIMOFPCDZQQKF-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.13
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61124180) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID61124180
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-5(2,3-8)9-12(10,11)4(6)7/h4,9H,3,8H2,1-2H3
InChIKeyCSIMOFPCDZQQKF-UHFFFAOYSA-N
XLogP-0.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylpropan-2-yl)-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-(1-amino-2-methylpropan-2-yl)methanesulfonamide hydrochloride
CID 54592675
N-(2-amino-2-methylpropyl)methanesulfonamide hydrochloride
CID 137838148
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
N-(1-amino-2-methylpropan-2-yl)methanesulfonamide
CID 51975222
N-(2-amino-2-methylpropyl)methanesulfonamide
CID 54269131
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
CID 62735181
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 64586125
N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
CID 118692691
N-(3,3-difluoropropyl)methanesulfonamide
CID 126994255

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide (CID 61124180) is N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide is CC(C)(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is CSIMOFPCDZQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-5(2,3-8)9-12(10,11)4(6)7/h4,9H,3,8H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.13, 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-methylpropan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).