5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide

C11H19N3O2S3 — CID 106271240

IUPAC5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H19N3O2S3/c1-13(2)7-4-8-14(3)19(15,16)10-6-5-9(18-10)11(12)17/h5-6H,4,7-8H2,1-3H3,(H2,12,17)
InChIKeyJKABBXPSHGZIFZ-UHFFFAOYSA-N
MW321.49 g/mol
LogP0.95
Rot. Bonds7

About 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide

5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271240) has the molecular formula C11H19N3O2S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106271240
Molecular FormulaC11H19N3O2S3
Molecular Weight321.49 g/mol
Exact Mass321.06
IUPAC Name5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H19N3O2S3/c1-13(2)7-4-8-14(3)19(15,16)10-6-5-9(18-10)11(12)17/h5-6H,4,7-8H2,1-3H3,(H2,12,17)
InChIKeyJKABBXPSHGZIFZ-UHFFFAOYSA-N
XLogP0.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 50.95
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-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
2-[butyl-(5-carbamothioylthiophen-2-yl)sulfonylamino]acetamide
CID 106270824
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270865
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 106270760
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide (CID 106271240) is 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide is CN(C)CCCN(C)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is JKABBXPSHGZIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S3/c1-13(2)7-4-8-14(3)19(15,16)10-6-5-9(18-10)11(12)17/h5-6H,4,7-8H2,1-3H3,(H2,12,17).
What are the key properties of 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide?
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 321.49 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).