4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide

C10H14N2O3S2 — CID 54879331

IUPAC4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
SMILESCN(CCO)S(=O)(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C10H14N2O3S2/c1-12(6-7-13)17(14,15)9-4-2-8(3-5-9)10(11)16/h2-5,13H,6-7H2,1H3,(H2,11,16)
InChIKeyCHLNPLSWCFHWHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.07
Rot. Bonds5

About 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide

4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide (PubChem CID 54879331) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
PubChem CID54879331
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
SMILESCN(CCO)S(=O)(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C10H14N2O3S2/c1-12(6-7-13)17(14,15)9-4-2-8(3-5-9)10(11)16/h2-5,13H,6-7H2,1H3,(H2,11,16)
InChIKeyCHLNPLSWCFHWHV-UHFFFAOYSA-N
XLogP-0.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
4-[methyl(3-methylbutyl)sulfamoyl]benzenecarbothioamide
CID 61429361
4-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997808
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 154513801
3-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199759
4-[cyclopropyl(methyl)sulfamoyl]benzenecarbothioamide
CID 43265132
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669
4-[2-ethoxyethyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 63690581
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide (CID 54879331) is 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide is CN(CCO)S(=O)(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is CHLNPLSWCFHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-12(6-7-13)17(14,15)9-4-2-8(3-5-9)10(11)16/h2-5,13H,6-7H2,1H3,(H2,11,16).
What are the key properties of 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide?
4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 274.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 54879331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).