5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide

C13H23N3O2S3 — CID 106270862

IUPAC5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C13H23N3O2S3/c1-10(2)9-16(8-7-15(3)4)21(17,18)12-6-5-11(20-12)13(14)19/h5-6,10H,7-9H2,1-4H3,(H2,14,19)
InChIKeyYZWRSRBUGNETCF-UHFFFAOYSA-N
MW349.55 g/mol
LogP1.59
Rot. Bonds8

About 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide

5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270862) has the molecular formula C13H23N3O2S3 and a molecular weight of 349.55 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270862
Molecular FormulaC13H23N3O2S3
Molecular Weight349.55 g/mol
Exact Mass349.10
IUPAC Name5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C13H23N3O2S3/c1-10(2)9-16(8-7-15(3)4)21(17,18)12-6-5-11(20-12)13(14)19/h5-6,10H,7-9H2,1-4H3,(H2,14,19)
InChIKeyYZWRSRBUGNETCF-UHFFFAOYSA-N
XLogP1.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 51.59
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-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 54937883
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270793
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
CID 114166702
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[2-cyanoethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61028171
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270862) is 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is YZWRSRBUGNETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S3/c1-10(2)9-16(8-7-15(3)4)21(17,18)12-6-5-11(20-12)13(14)19/h5-6,10H,7-9H2,1-4H3,(H2,14,19).
What are the key properties of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide?
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 349.55 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).