5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide

C11H18N2O2S3 — CID 106270318

IUPAC5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H18N2O2S3/c1-4-8(3)13(5-2)18(14,15)10-7-6-9(17-10)11(12)16/h6-8H,4-5H2,1-3H3,(H2,12,16)
InChIKeyQXMNZRSUKJTNJI-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.19
Rot. Bonds6

About 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide

5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270318) has the molecular formula C11H18N2O2S3 and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270318
Molecular FormulaC11H18N2O2S3
Molecular Weight306.48 g/mol
Exact Mass306.05
IUPAC Name5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H18N2O2S3/c1-4-8(3)13(5-2)18(14,15)10-7-6-9(17-10)11(12)16/h6-8H,4-5H2,1-3H3,(H2,12,16)
InChIKeyQXMNZRSUKJTNJI-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270793
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270925
3-[butan-2-yl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43274740
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
CID 114166702
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270318) is 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide is CCC(C)N(CC)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is QXMNZRSUKJTNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S3/c1-4-8(3)13(5-2)18(14,15)10-7-6-9(17-10)11(12)16/h6-8H,4-5H2,1-3H3,(H2,12,16).
What are the key properties of 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide?
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 306.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).