1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol

C8H21N3O3S — CID 62333189

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C8H21N3O3S/c1-8(12)7-11(3)15(13,14)10(2)6-4-5-9/h8,12H,4-7,9H2,1-3H3
InChIKeyGIWXZKNFCAZCAY-UHFFFAOYSA-N
MW239.34 g/mol
LogP-1.18
Rot. Bonds7

About 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol

1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol (PubChem CID 62333189) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol
PubChem CID62333189
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C8H21N3O3S/c1-8(12)7-11(3)15(13,14)10(2)6-4-5-9/h8,12H,4-7,9H2,1-3H3
InChIKeyGIWXZKNFCAZCAY-UHFFFAOYSA-N
XLogP-1.18
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-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 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol (CID 62333189) is 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol is CC(O)CN(C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol?
The InChIKey is GIWXZKNFCAZCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3S/c1-8(12)7-11(3)15(13,14)10(2)6-4-5-9/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol?
1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol has a molecular weight of 239.34 g/mol, XLogP of -1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol is sourced from PubChem (CID 62333189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).