3-(methylsulfamoylamino)propan-1-ol

C4H12N2O3S — CID 114809307

IUPAC3-(methylsulfamoylamino)propan-1-ol
SMILESCNS(=O)(=O)NCCCO
InChIInChI=1S/C4H12N2O3S/c1-5-10(8,9)6-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyBBEVYZYDCIAODA-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.58
Rot. Bonds5

About 3-(methylsulfamoylamino)propan-1-ol

3-(methylsulfamoylamino)propan-1-ol (PubChem CID 114809307) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-(methylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name3-(methylsulfamoylamino)propan-1-ol
PubChem CID114809307
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name3-(methylsulfamoylamino)propan-1-ol
SMILESCNS(=O)(=O)NCCCO
InChIInChI=1S/C4H12N2O3S/c1-5-10(8,9)6-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyBBEVYZYDCIAODA-UHFFFAOYSA-N
XLogP-1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(methylsulfamoylamino)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-(methylsulfamoylamino)propan-1-ol?
The IUPAC name of 3-(methylsulfamoylamino)propan-1-ol (CID 114809307) is 3-(methylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 3-(methylsulfamoylamino)propan-1-ol?
The canonical SMILES for 3-(methylsulfamoylamino)propan-1-ol is CNS(=O)(=O)NCCCO.
What is the InChIKey of 3-(methylsulfamoylamino)propan-1-ol?
The InChIKey is BBEVYZYDCIAODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-5-10(8,9)6-3-2-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 3-(methylsulfamoylamino)propan-1-ol?
3-(methylsulfamoylamino)propan-1-ol has a molecular weight of 168.22 g/mol, XLogP of -1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 114809307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).