3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide

C9H20N2O3S — CID 114809620

IUPAC3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C9H20N2O3S/c1-4-5-9(12)6-11(7-9)15(13,14)10-8(2)3/h8,10,12H,4-7H2,1-3H3
InChIKeyZLNPIJXIYDSYFQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds5

About 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide

3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide (PubChem CID 114809620) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide
PubChem CID114809620
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NC(C)C)C1
InChIInChI=1S/C9H20N2O3S/c1-4-5-9(12)6-11(7-9)15(13,14)10-8(2)3/h8,10,12H,4-7H2,1-3H3
InChIKeyZLNPIJXIYDSYFQ-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-propan-2-yl-3-propylazetidine-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

Related Compounds

3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
CID 114809623
N-cyclohexyl-3-hydroxy-N-methyl-3-propylazetidine-1-sulfonamide
CID 65928534
N,N-diethyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 65928956
3-hydroxy-N,N,3-tripropylazetidine-1-sulfonamide
CID 65930211
3-hydroxy-N-methyl-N-propan-2-yl-3-propylazetidine-1-sulfonamide
CID 65930831
3-cyclopropyl-3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
CID 65936350
N-butyl-3-hydroxy-N-methyl-3-propylazetidine-1-sulfonamide
CID 65942674
3-hydroxy-N,N-dimethyl-3-propylazetidine-1-sulfonamide
CID 65942878
2-Hydroxy-2,4-dimethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 66179782
[(2-Hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835331
2-Hydroxy-2-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 103835333
2-Methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol
CID 103946772

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide (CID 114809620) is 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide is CCCC1(O)CN(S(=O)(=O)NC(C)C)C1.
What is the InChIKey of 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide?
The InChIKey is ZLNPIJXIYDSYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-5-9(12)6-11(7-9)15(13,14)10-8(2)3/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide?
3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-propan-2-yl-3-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114809620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).