5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide

C10H16N4O2S2 — CID 114613962

IUPAC5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H16N4O2S2/c1-14(2)6-5-13-18(15,16)8-3-4-9(10(11)17)12-7-8/h3-4,7,13H,5-6H2,1-2H3,(H2,11,17)
InChIKeyRZRINHVTCWOYPM-UHFFFAOYSA-N
MW288.40 g/mol
LogP-0.44
Rot. Bonds6

About 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide

5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 114613962) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
PubChem CID114613962
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H16N4O2S2/c1-14(2)6-5-13-18(15,16)8-3-4-9(10(11)17)12-7-8/h3-4,7,13H,5-6H2,1-2H3,(H2,11,17)
InChIKeyRZRINHVTCWOYPM-UHFFFAOYSA-N
XLogP-0.44
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 5-0.44
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-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 114614674
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
5-(2-pyridin-2-ylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614071
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
5-[(2-methylcyclopropyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614412
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide (CID 114613962) is 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide is CN(C)CCNS(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is RZRINHVTCWOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-14(2)6-5-13-18(15,16)8-3-4-9(10(11)17)12-7-8/h3-4,7,13H,5-6H2,1-2H3,(H2,11,17).
What are the key properties of 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide?
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 288.40 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114613962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).