5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide

C11H16N2O3S3 — CID 106270447

IUPAC5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H16N2O3S3/c1-13(8-4-6-16-7-5-8)19(14,15)10-3-2-9(18-10)11(12)17/h2-3,8H,4-7H2,1H3,(H2,12,17)
InChIKeyGCVZKFBBTBDQAH-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.18
Rot. Bonds4

About 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide

5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270447) has the molecular formula C11H16N2O3S3 and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270447
Molecular FormulaC11H16N2O3S3
Molecular Weight320.46 g/mol
Exact Mass320.03
IUPAC Name5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H16N2O3S3/c1-13(8-4-6-16-7-5-8)19(14,15)10-3-2-9(18-10)11(12)17/h2-3,8H,4-7H2,1H3,(H2,12,17)
InChIKeyGCVZKFBBTBDQAH-UHFFFAOYSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270793
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106272065
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide
CID 106271931
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide (CID 106270447) is 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide is CN(C1CCOCC1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is GCVZKFBBTBDQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S3/c1-13(8-4-6-16-7-5-8)19(14,15)10-3-2-9(18-10)11(12)17/h2-3,8H,4-7H2,1H3,(H2,12,17).
What are the key properties of 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide?
5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 320.46 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).