N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide

C9H18F2N2O4S — CID 113258583

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H18F2N2O4S/c1-3-4-18(16,17)13-6(2)9(15)12-5-7(14)8(10)11/h6-8,13-14H,3-5H2,1-2H3,(H,12,15)
InChIKeyGBSWDMFXYDKBPS-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.55
Rot. Bonds8

About N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide (PubChem CID 113258583) has the molecular formula C9H18F2N2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide
PubChem CID113258583
Molecular FormulaC9H18F2N2O4S
Molecular Weight288.32 g/mol
Exact Mass288.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H18F2N2O4S/c1-3-4-18(16,17)13-6(2)9(15)12-5-7(14)8(10)11/h6-8,13-14H,3-5H2,1-2H3,(H,12,15)
InChIKeyGBSWDMFXYDKBPS-UHFFFAOYSA-N
XLogP-0.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide 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

(2-Hydroxy-3-sulfopropyl)-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azanium
CID 130266557
(2-Hydroxy-3-sulfopropyl)-dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266617
3-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
CID 140799751
3-[Dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
CID 140799765
3-[dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]-2-hydroxypropane-1-sulfonate;1-fluoro-N,N-dimethylmethanamine
CID 158966566
2-[propan-2-yl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 167048999
2-amino-N-(2-hydroxyethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54874270
1-propylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103726188
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103755800
2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755834
N-(3,3-difluoro-2-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 103769802
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 103769932

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide (CID 113258583) is N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
The InChIKey is GBSWDMFXYDKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O4S/c1-3-4-18(16,17)13-6(2)9(15)12-5-7(14)8(10)11/h6-8,13-14H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide has a molecular weight of 288.32 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 113258583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).