5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide

C10H16N4O2S2 — CID 79499758

IUPAC5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide
SMILESNC(=S)c1cn[nH]c1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H16N4O2S2/c11-9(17)8-6-12-13-10(8)14-18(15,16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,17)(H2,12,13,14)
InChIKeyGWVFWAKDIBNZRF-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.12
Rot. Bonds4

About 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide

5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide (PubChem CID 79499758) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide
PubChem CID79499758
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide
SMILESNC(=S)c1cn[nH]c1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H16N4O2S2/c11-9(17)8-6-12-13-10(8)14-18(15,16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,17)(H2,12,13,14)
InChIKeyGWVFWAKDIBNZRF-UHFFFAOYSA-N
XLogP1.12
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide?
The IUPAC name of 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide (CID 79499758) is 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide.
What is the SMILES notation for 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide?
The canonical SMILES for 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide is NC(=S)c1cn[nH]c1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide?
The InChIKey is GWVFWAKDIBNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c11-9(17)8-6-12-13-10(8)14-18(15,16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,17)(H2,12,13,14).
What are the key properties of 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide?
5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide has a molecular weight of 288.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfonylamino)-1H-pyrazole-4-carbothioamide is sourced from PubChem (CID 79499758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).