propane-1,3-disulfonamide

C3H10N2O4S2 — CID 22153832

IUPACpropane-1,3-disulfonamide
SMILESNS(=O)(=O)CCCS(N)(=O)=O
InChIInChI=1S/C3H10N2O4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2,(H2,4,6,7)(H2,5,8,9)
InChIKeyUIZFQNHNERNILZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP-2.05
Rot. Bonds4

About propane-1,3-disulfonamide

propane-1,3-disulfonamide (PubChem CID 22153832) has the molecular formula C3H10N2O4S2 and a molecular weight of 202.26 g/mol. Its IUPAC name is propane-1,3-disulfonamide.

Molecular Properties

Compound Namepropane-1,3-disulfonamide
PubChem CID22153832
Molecular FormulaC3H10N2O4S2
Molecular Weight202.26 g/mol
Exact Mass202.01
IUPAC Namepropane-1,3-disulfonamide
SMILESNS(=O)(=O)CCCS(N)(=O)=O
InChIInChI=1S/C3H10N2O4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2,(H2,4,6,7)(H2,5,8,9)
InChIKeyUIZFQNHNERNILZ-UHFFFAOYSA-N
XLogP-2.05
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propane-1,3-disulfonamide 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 propane-1,3-disulfonamide?
The IUPAC name of propane-1,3-disulfonamide (CID 22153832) is propane-1,3-disulfonamide.
What is the SMILES notation for propane-1,3-disulfonamide?
The canonical SMILES for propane-1,3-disulfonamide is NS(=O)(=O)CCCS(N)(=O)=O.
What is the InChIKey of propane-1,3-disulfonamide?
The InChIKey is UIZFQNHNERNILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2,(H2,4,6,7)(H2,5,8,9).
What are the key properties of propane-1,3-disulfonamide?
propane-1,3-disulfonamide has a molecular weight of 202.26 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-disulfonamide is sourced from PubChem (CID 22153832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).