N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide

C9H20F2N2O2S — CID 104953024

IUPACN-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C9H20F2N2O2S/c1-8(2,3)4-5-16(14,15)13-7-9(10,11)6-12/h13H,4-7,12H2,1-3H3
InChIKeyYKQMXCDQQLXBAM-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.94
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide

N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 104953024) has the molecular formula C9H20F2N2O2S and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID104953024
Molecular FormulaC9H20F2N2O2S
Molecular Weight258.33 g/mol
Exact Mass258.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C9H20F2N2O2S/c1-8(2,3)4-5-16(14,15)13-7-9(10,11)6-12/h13H,4-7,12H2,1-3H3
InChIKeyYKQMXCDQQLXBAM-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide 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-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide (CID 104953024) is N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is YKQMXCDQQLXBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O2S/c1-8(2,3)4-5-16(14,15)13-7-9(10,11)6-12/h13H,4-7,12H2,1-3H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 104953024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).