3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide

C9H20N2O3S — CID 115778229

IUPAC3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
SMILESCC1OCCC1N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-8-9(4-6-14-8)11(2)5-3-7-15(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyXJOJYXFXTYJZJW-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.23
Rot. Bonds5

About 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide

3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide (PubChem CID 115778229) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
PubChem CID115778229
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
SMILESCC1OCCC1N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-8-9(4-6-14-8)11(2)5-3-7-15(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyXJOJYXFXTYJZJW-UHFFFAOYSA-N
XLogP-0.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-(2-methyloxolan-3-yl)amino]propane-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 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide (CID 115778229) is 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide is CC1OCCC1N(C)CCCS(N)(=O)=O.
What is the InChIKey of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
The InChIKey is XJOJYXFXTYJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8-9(4-6-14-8)11(2)5-3-7-15(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13).
What are the key properties of 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide?
3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 115778229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).