N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

C10H18N4O3S2 — CID 171714633

IUPACN-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCCCCNS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C10H18N4O3S2/c1-3-4-5-6-7-11-19(16,17)10-14-13-9(18-10)12-8(2)15/h11H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyIVOSCYUCLUQSLY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.36
Rot. Bonds8

About N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 171714633) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID171714633
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC NameN-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCCCCNS(=O)(=O)c1nnc(NC(C)=O)s1
InChIInChI=1S/C10H18N4O3S2/c1-3-4-5-6-7-11-19(16,17)10-14-13-9(18-10)12-8(2)15/h11H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyIVOSCYUCLUQSLY-UHFFFAOYSA-N
XLogP1.36
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 171714633) is N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is CCCCCCNS(=O)(=O)c1nnc(NC(C)=O)s1.
What is the InChIKey of N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is IVOSCYUCLUQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-3-4-5-6-7-11-19(16,17)10-14-13-9(18-10)12-8(2)15/h11H,3-7H2,1-2H3,(H,12,13,15).
What are the key properties of N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hexylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 171714633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).