N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide

C9H14N4OS — CID 141187677

IUPACN-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(S)cn1
InChIInChI=1S/C9H14N4OS/c14-9(8-6-13(15)7-10-8)11-12-4-2-1-3-5-12/h6-7,15H,1-5H2,(H,11,14)
InChIKeyKXGNXYOVNDEMHY-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.71
Rot. Bonds2

About N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide

N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide (PubChem CID 141187677) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide
PubChem CID141187677
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(S)cn1
InChIInChI=1S/C9H14N4OS/c14-9(8-6-13(15)7-10-8)11-12-4-2-1-3-5-12/h6-7,15H,1-5H2,(H,11,14)
InChIKeyKXGNXYOVNDEMHY-UHFFFAOYSA-N
XLogP0.71
TPSA50.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1H-imidazole-5-carbohydrazide
CID 468661
3-Methyl-2-methylsulfanylimidazole-4-carbohydrazide
CID 2821732
1-methyl-1H-imidazole-4-carbohydrazide dihydrochloride
CID 137952209
2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide
CID 21080159
2-(Aminodiazenyl)-3-methylimidazole-4-carboxamide
CID 54422836
Imidazole, 2-fluoro-5-carbhydrazino-1-methyl-
CID 581346
1-Methyl-1H-imidazole-4-carbohydrazide
CID 45084122
N',N'-dimethyl-1H-imidazole-5-carbohydrazide
CID 12206030
Methyl-1-triazeno-imidazole-4-carboxamide
CID 129829561
1-Triazenoimidazole-4-carboxamide
CID 129829787
Amino-imidazole carboxamidecarboxamide
CID 177746774
Imidazo[1,5-d]-as-triazin-1(2H)-one
CID 948878

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide?
The IUPAC name of N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide (CID 141187677) is N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide.
What is the SMILES notation for N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide?
The canonical SMILES for N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide is O=C(NN1CCCCC1)c1cn(S)cn1.
What is the InChIKey of N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide?
The InChIKey is KXGNXYOVNDEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-9(8-6-13(15)7-10-8)11-12-4-2-1-3-5-12/h6-7,15H,1-5H2,(H,11,14).
What are the key properties of N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide?
N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1-sulfanylimidazole-4-carboxamide is sourced from PubChem (CID 141187677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).