2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide

C13H18N2O3S2 — CID 102862565

IUPAC2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
SMILESNC(=S)c1ccccc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H18N2O3S2/c14-13(19)11-6-1-2-7-12(11)20(17,18)15(8-9-16)10-4-3-5-10/h1-2,6-7,10,16H,3-5,8-9H2,(H2,14,19)
InChIKeyVIZKLRWVCRSELM-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.86
Rot. Bonds6

About 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide

2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide (PubChem CID 102862565) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
PubChem CID102862565
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
SMILESNC(=S)c1ccccc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H18N2O3S2/c14-13(19)11-6-1-2-7-12(11)20(17,18)15(8-9-16)10-4-3-5-10/h1-2,6-7,10,16H,3-5,8-9H2,(H2,14,19)
InChIKeyVIZKLRWVCRSELM-UHFFFAOYSA-N
XLogP0.86
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide 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

2-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264373
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596981
2-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzenecarbothioamide
CID 54995212
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
2-chloro-4-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862562
2-(aminomethyl)-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102861412
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 62546273
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide (CID 102862565) is 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide is NC(=S)c1ccccc1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is VIZKLRWVCRSELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c14-13(19)11-6-1-2-7-12(11)20(17,18)15(8-9-16)10-4-3-5-10/h1-2,6-7,10,16H,3-5,8-9H2,(H2,14,19).
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide?
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 314.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 102862565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).