4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C10H16N4O3S2 — CID 162644597

IUPAC4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2nnc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C10H16N4O3S2/c1-6-2-4-7(5-3-6)8(15)12-9-13-14-10(18-9)19(11,16)17/h6-7H,2-5H2,1H3,(H2,11,16,17)(H,12,13,15)
InChIKeyVIHOZYPUHPRVCZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.95
Rot. Bonds3

About 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 162644597) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID162644597
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2nnc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C10H16N4O3S2/c1-6-2-4-7(5-3-6)8(15)12-9-13-14-10(18-9)19(11,16)17/h6-7H,2-5H2,1H3,(H2,11,16,17)(H,12,13,15)
InChIKeyVIHOZYPUHPRVCZ-UHFFFAOYSA-N
XLogP0.95
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 162644597) is 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2nnc(S(N)(=O)=O)s2)CC1.
What is the InChIKey of 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is VIHOZYPUHPRVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-6-2-4-7(5-3-6)8(15)12-9-13-14-10(18-9)19(11,16)17/h6-7H,2-5H2,1H3,(H2,11,16,17)(H,12,13,15).
What are the key properties of 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 162644597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).