5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide

C10H17N3O2S3 — CID 114166702

IUPAC5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H17N3O2S3/c1-7(6-13(2)3)12-18(14,15)9-5-4-8(17-9)10(11)16/h4-5,7,12H,6H2,1-3H3,(H2,11,16)
InChIKeyKEBHRGKCJUZYQO-UHFFFAOYSA-N
MW307.47 g/mol
LogP0.61
Rot. Bonds6

About 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide

5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 114166702) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
PubChem CID114166702
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H17N3O2S3/c1-7(6-13(2)3)12-18(14,15)9-5-4-8(17-9)10(11)16/h4-5,7,12H,6H2,1-3H3,(H2,11,16)
InChIKeyKEBHRGKCJUZYQO-UHFFFAOYSA-N
XLogP0.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270609
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
5-[2-(dimethylamino)ethyl-(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270862
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271860
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106388542
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
CID 62093885
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270793
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide (CID 114166702) is 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide is CC(CN(C)C)NS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is KEBHRGKCJUZYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-7(6-13(2)3)12-18(14,15)9-5-4-8(17-9)10(11)16/h4-5,7,12H,6H2,1-3H3,(H2,11,16).
What are the key properties of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide?
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 307.47 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 114166702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).