N-(4-sulfamoylphenyl)piperidine-1-carbothioamide

C12H17N3O2S2 — CID 19653686

IUPACN-(4-sulfamoylphenyl)piperidine-1-carbothioamide
SMILESNS(=O)(=O)c1ccc(NC(=S)N2CCCCC2)cc1
InChIInChI=1S/C12H17N3O2S2/c13-19(16,17)11-6-4-10(5-7-11)14-12(18)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,18)(H2,13,16,17)
InChIKeyGVBGCTJVKVFEQV-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.52
Rot. Bonds2

About N-(4-sulfamoylphenyl)piperidine-1-carbothioamide

N-(4-sulfamoylphenyl)piperidine-1-carbothioamide (PubChem CID 19653686) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)piperidine-1-carbothioamide
PubChem CID19653686
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-(4-sulfamoylphenyl)piperidine-1-carbothioamide
SMILESNS(=O)(=O)c1ccc(NC(=S)N2CCCCC2)cc1
InChIInChI=1S/C12H17N3O2S2/c13-19(16,17)11-6-4-10(5-7-11)14-12(18)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,18)(H2,13,16,17)
InChIKeyGVBGCTJVKVFEQV-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
4-methyl-N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 3261166
ethyl (3R)-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 1289838
ethyl 1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 1213439
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
N-(4-ethylphenyl)azocane-1-carbothioamide
CID 2545029
2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270897
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529
N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 883440
4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carbothioamide
CID 74227735
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
8-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)naphthalene-1-carboxamide
CID 25044324

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)piperidine-1-carbothioamide?
The IUPAC name of N-(4-sulfamoylphenyl)piperidine-1-carbothioamide (CID 19653686) is N-(4-sulfamoylphenyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(4-sulfamoylphenyl)piperidine-1-carbothioamide is NS(=O)(=O)c1ccc(NC(=S)N2CCCCC2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)piperidine-1-carbothioamide?
The InChIKey is GVBGCTJVKVFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c13-19(16,17)11-6-4-10(5-7-11)14-12(18)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,18)(H2,13,16,17).
What are the key properties of N-(4-sulfamoylphenyl)piperidine-1-carbothioamide?
N-(4-sulfamoylphenyl)piperidine-1-carbothioamide has a molecular weight of 299.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)piperidine-1-carbothioamide is sourced from PubChem (CID 19653686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).