N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H16N4O4S2 — CID 106364604

IUPACN-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC2CCCC2CO)s1
InChIInChI=1S/C10H16N4O4S2/c1-6(16)11-9-12-13-10(19-9)20(17,18)14-8-4-2-3-7(8)5-15/h7-8,14-15H,2-5H2,1H3,(H,11,12,16)
InChIKeyGTXOPAZYVQERGK-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.06
Rot. Bonds5

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

N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 106364604) has the molecular formula C10H16N4O4S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID106364604
Molecular FormulaC10H16N4O4S2
Molecular Weight320.40 g/mol
Exact Mass320.06
IUPAC NameN-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC2CCCC2CO)s1
InChIInChI=1S/C10H16N4O4S2/c1-6(16)11-9-12-13-10(19-9)20(17,18)14-8-4-2-3-7(8)5-15/h7-8,14-15H,2-5H2,1H3,(H,11,12,16)
InChIKeyGTXOPAZYVQERGK-UHFFFAOYSA-N
XLogP-0.06
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2-methylpiperidin-3-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 114695273
N-[5-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 125060441
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 106359339
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
N-[2-(hydroxymethyl)cyclopentyl]-1,2-dimethylimidazole-4-sulfonamide
CID 103836016
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 106364604) is N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NC2CCCC2CO)s1.
What is the InChIKey of N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GTXOPAZYVQERGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S2/c1-6(16)11-9-12-13-10(19-9)20(17,18)14-8-4-2-3-7(8)5-15/h7-8,14-15H,2-5H2,1H3,(H,11,12,16).
What are the key properties of N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 320.40 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 106364604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).