1-(1-hydroxyethyl)-3-sulfonylurea

C3H6N2O4S — CID 174402656

IUPAC1-(1-hydroxyethyl)-3-sulfonylurea
SMILESCC(O)NC(=O)N=S(=O)=O
InChIInChI=1S/C3H6N2O4S/c1-2(6)4-3(7)5-10(8)9/h2,6H,1H3,(H,4,7)
InChIKeyZPCULZMFHVDFJS-UHFFFAOYSA-N
MW166.16 g/mol
LogP-0.90
Rot. Bonds1

About 1-(1-hydroxyethyl)-3-sulfonylurea

1-(1-hydroxyethyl)-3-sulfonylurea (PubChem CID 174402656) has the molecular formula C3H6N2O4S and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-3-sulfonylurea.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-3-sulfonylurea
PubChem CID174402656
Molecular FormulaC3H6N2O4S
Molecular Weight166.16 g/mol
Exact Mass166.00
IUPAC Name1-(1-hydroxyethyl)-3-sulfonylurea
SMILESCC(O)NC(=O)N=S(=O)=O
InChIInChI=1S/C3H6N2O4S/c1-2(6)4-3(7)5-10(8)9/h2,6H,1H3,(H,4,7)
InChIKeyZPCULZMFHVDFJS-UHFFFAOYSA-N
XLogP-0.90
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-hydroxyethyl)-3-sulfonylurea 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

1-sulfanyl-3-sulfonylurea
CID 22564727
1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea
CID 145063647
propan-2-ol;sulfur trioxide
CID 174853571
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
CID 162255629
fluoromethyl N-(1-hydroxyethyl)carbamate
CID 87746780
propan-2-ylcarbamothioic S-acid
CID 13025506
3-methylsulfinylbutan-2-ol
CID 13461385
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
CID 90459779
CID 90459779
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
N-methylacetamide;1-(methylamino)ethanol
CID 159501218

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-3-sulfonylurea?
The IUPAC name of 1-(1-hydroxyethyl)-3-sulfonylurea (CID 174402656) is 1-(1-hydroxyethyl)-3-sulfonylurea.
What is the SMILES notation for 1-(1-hydroxyethyl)-3-sulfonylurea?
The canonical SMILES for 1-(1-hydroxyethyl)-3-sulfonylurea is CC(O)NC(=O)N=S(=O)=O.
What is the InChIKey of 1-(1-hydroxyethyl)-3-sulfonylurea?
The InChIKey is ZPCULZMFHVDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O4S/c1-2(6)4-3(7)5-10(8)9/h2,6H,1H3,(H,4,7).
What are the key properties of 1-(1-hydroxyethyl)-3-sulfonylurea?
1-(1-hydroxyethyl)-3-sulfonylurea has a molecular weight of 166.16 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-3-sulfonylurea is sourced from PubChem (CID 174402656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).