3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide

C9H14N4O2S2 — CID 114288424

IUPAC3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1NCCCS(N)(=O)=O
InChIInChI=1S/C9H14N4O2S2/c10-9(16)7-2-4-12-6-8(7)13-3-1-5-17(11,14)15/h2,4,6,13H,1,3,5H2,(H2,10,16)(H2,11,14,15)
InChIKeyRFRZRYKQMHAZKW-UHFFFAOYSA-N
MW274.37 g/mol
LogP-0.19
Rot. Bonds6

About 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide

3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide (PubChem CID 114288424) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide
PubChem CID114288424
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1NCCCS(N)(=O)=O
InChIInChI=1S/C9H14N4O2S2/c10-9(16)7-2-4-12-6-8(7)13-3-1-5-17(11,14)15/h2,4,6,13H,1,3,5H2,(H2,10,16)(H2,11,14,15)
InChIKeyRFRZRYKQMHAZKW-UHFFFAOYSA-N
XLogP-0.19
TPSA111.10 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 ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoroethylamino)pyridine-4-carbothioamide
CID 130504428
3-[2-(methanesulfonamido)ethylamino]pyridine-4-carbothioamide
CID 114288202
3-(3-pyrrolidin-1-ylpropylamino)pyridine-4-carbothioamide
CID 114288517
3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
3-(3-propoxypropylamino)pyridine-4-carbothioamide
CID 82940958
4-methoxy-2-(3-sulfamoylpropylamino)benzenecarbothioamide
CID 81306767
3-(4-imidazol-1-ylbutylamino)pyridine-4-carbothioamide
CID 114288427
3-(3-methylsulfinylbutylamino)pyridine-4-carbothioamide
CID 113490495
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 113269668
3-[2-(2,4-dichlorophenyl)ethylamino]pyridine-4-carbothioamide
CID 114288128

Frequently Asked Questions

What is the IUPAC name of 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide (CID 114288424) is 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide is NC(=S)c1ccncc1NCCCS(N)(=O)=O.
What is the InChIKey of 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide?
The InChIKey is RFRZRYKQMHAZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c10-9(16)7-2-4-12-6-8(7)13-3-1-5-17(11,14)15/h2,4,6,13H,1,3,5H2,(H2,10,16)(H2,11,14,15).
What are the key properties of 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide?
3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide has a molecular weight of 274.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).