3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol

C9H20N2O4S — CID 82746138

IUPAC3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol
SMILESCN(CCCO)S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C9H20N2O4S/c1-10(5-3-6-12)16(13,14)11(2)9-4-7-15-8-9/h9,12H,3-8H2,1-2H3
InChIKeyADDDBTMCPSOIKP-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.73
Rot. Bonds6

About 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol

3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol (PubChem CID 82746138) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol
PubChem CID82746138
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol
SMILESCN(CCCO)S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C9H20N2O4S/c1-10(5-3-6-12)16(13,14)11(2)9-4-7-15-8-9/h9,12H,3-8H2,1-2H3
InChIKeyADDDBTMCPSOIKP-UHFFFAOYSA-N
XLogP-0.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol 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-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol (CID 82746138) is 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol is CN(CCCO)S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol?
The InChIKey is ADDDBTMCPSOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-10(5-3-6-12)16(13,14)11(2)9-4-7-15-8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol?
3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol has a molecular weight of 252.34 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol is sourced from PubChem (CID 82746138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).