N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide

C9H18N2O4S — CID 63106057

IUPACN-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-4-16(14,15)10-7(2)9(13)11-5-8(12)6-11/h7-8,10,12H,3-6H2,1-2H3
InChIKeyCQTNNJUPLJHIES-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.09
Rot. Bonds5

About N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide

N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide (PubChem CID 63106057) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
PubChem CID63106057
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-4-16(14,15)10-7(2)9(13)11-5-8(12)6-11/h7-8,10,12H,3-6H2,1-2H3
InChIKeyCQTNNJUPLJHIES-UHFFFAOYSA-N
XLogP-1.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]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 N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide (CID 63106057) is N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(=O)N1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
The InChIKey is CQTNNJUPLJHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-4-16(14,15)10-7(2)9(13)11-5-8(12)6-11/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide?
N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxyazetidin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 63106057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).