N-(oxolan-3-ylmethyl)propane-2-sulfonamide

C8H17NO3S — CID 61357388

IUPACN-(oxolan-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-5-8-3-4-12-6-8/h7-9H,3-6H2,1-2H3
InChIKeyAXHYLOLBIVMURG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.35
Rot. Bonds4

About N-(oxolan-3-ylmethyl)propane-2-sulfonamide

N-(oxolan-3-ylmethyl)propane-2-sulfonamide (PubChem CID 61357388) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)propane-2-sulfonamide
PubChem CID61357388
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(oxolan-3-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-5-8-3-4-12-6-8/h7-9H,3-6H2,1-2H3
InChIKeyAXHYLOLBIVMURG-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-3-ylmethyl)propane-2-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-(oxolan-3-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)propane-2-sulfonamide (CID 61357388) is N-(oxolan-3-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)propane-2-sulfonamide?
The InChIKey is AXHYLOLBIVMURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-5-8-3-4-12-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)propane-2-sulfonamide?
N-(oxolan-3-ylmethyl)propane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 61357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).