3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide

C9H14N4O2S2 — CID 106339198

IUPAC3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
SMILESCNS(=O)(=O)CCNc1cccnc1C(N)=S
InChIInChI=1S/C9H14N4O2S2/c1-11-17(14,15)6-5-12-7-3-2-4-13-8(7)9(10)16/h2-4,11-12H,5-6H2,1H3,(H2,10,16)
InChIKeyIDIMOBPGRODXKL-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.32
Rot. Bonds6

About 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide

3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide (PubChem CID 106339198) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
PubChem CID106339198
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
SMILESCNS(=O)(=O)CCNc1cccnc1C(N)=S
InChIInChI=1S/C9H14N4O2S2/c1-11-17(14,15)6-5-12-7-3-2-4-13-8(7)9(10)16/h2-4,11-12H,5-6H2,1H3,(H2,10,16)
InChIKeyIDIMOBPGRODXKL-UHFFFAOYSA-N
XLogP-0.32
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334140
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
CID 106339226
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
5-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzenecarbothioamide
CID 106339147
4-bromo-2-[2-(methylsulfamoyl)ethylamino]benzenecarbothioamide
CID 106339245
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate
CID 58977998

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide?
The IUPAC name of 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide (CID 106339198) is 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide?
The canonical SMILES for 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide is CNS(=O)(=O)CCNc1cccnc1C(N)=S.
What is the InChIKey of 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide?
The InChIKey is IDIMOBPGRODXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-11-17(14,15)6-5-12-7-3-2-4-13-8(7)9(10)16/h2-4,11-12H,5-6H2,1H3,(H2,10,16).
What are the key properties of 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide?
3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide has a molecular weight of 274.37 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 106339198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).