3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide

C13H15N3O2S3 — CID 106596907

IUPAC3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide
SMILESCCC(NS(=O)(=O)c1cccnc1C(N)=S)c1cccs1
InChIInChI=1S/C13H15N3O2S3/c1-2-9(10-5-4-8-20-10)16-21(17,18)11-6-3-7-15-12(11)13(14)19/h3-9,16H,2H2,1H3,(H2,14,19)
InChIKeyDYIJOTLUWCPDTR-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.21
Rot. Bonds6

About 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide

3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596907) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596907
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC Name3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide
SMILESCCC(NS(=O)(=O)c1cccnc1C(N)=S)c1cccs1
InChIInChI=1S/C13H15N3O2S3/c1-2-9(10-5-4-8-20-10)16-21(17,18)11-6-3-7-15-12(11)13(14)19/h3-9,16H,2H2,1H3,(H2,14,19)
InChIKeyDYIJOTLUWCPDTR-UHFFFAOYSA-N
XLogP2.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.21
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

3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-(3,3-dimethylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597826
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 106053446
3-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596615
3-[(3-ethylthiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597606
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
methyl 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 106596603
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide (CID 106596907) is 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide is CCC(NS(=O)(=O)c1cccnc1C(N)=S)c1cccs1.
What is the InChIKey of 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is DYIJOTLUWCPDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-2-9(10-5-4-8-20-10)16-21(17,18)11-6-3-7-15-12(11)13(14)19/h3-9,16H,2H2,1H3,(H2,14,19).
What are the key properties of 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide?
3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 341.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).