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

C11H18N4O4S2 — CID 102867499

IUPACN-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(CCCO)C2CCC2)s1
InChIInChI=1S/C11H18N4O4S2/c1-8(17)12-10-13-14-11(20-10)21(18,19)15(6-3-7-16)9-4-2-5-9/h9,16H,2-7H2,1H3,(H,12,13,17)
InChIKeyZCAQFZZCWGEIJN-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.42
Rot. Bonds7

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

N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 102867499) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID102867499
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC NameN-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(CCCO)C2CCC2)s1
InChIInChI=1S/C11H18N4O4S2/c1-8(17)12-10-13-14-11(20-10)21(18,19)15(6-3-7-16)9-4-2-5-9/h9,16H,2-7H2,1H3,(H,12,13,17)
InChIKeyZCAQFZZCWGEIJN-UHFFFAOYSA-N
XLogP0.42
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.42
H-Bond Donors ≤ 52
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-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
N-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106364604
N-[5-[5-bromopentyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107206300
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102860909
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102860892
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102866785
N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide
CID 102847487
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 102859015
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 102847530
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 102867499) is N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N(CCCO)C2CCC2)s1.
What is the InChIKey of N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ZCAQFZZCWGEIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-8(17)12-10-13-14-11(20-10)21(18,19)15(6-3-7-16)9-4-2-5-9/h9,16H,2-7H2,1H3,(H,12,13,17).
What are the key properties of N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 102867499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).