1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide

C13H19N3O3S — CID 107782874

IUPAC1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESCc1occc1SCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H19N3O3S/c1-9-11(4-7-19-9)20-8-12(17)16-5-2-10(3-6-16)13(18)15-14/h4,7,10H,2-3,5-6,8,14H2,1H3,(H,15,18)
InChIKeyOCVPABOWNKKVOG-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide

1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide (PubChem CID 107782874) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
PubChem CID107782874
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESCc1occc1SCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C13H19N3O3S/c1-9-11(4-7-19-9)20-8-12(17)16-5-2-10(3-6-16)13(18)15-14/h4,7,10H,2-3,5-6,8,14H2,1H3,(H,15,18)
InChIKeyOCVPABOWNKKVOG-UHFFFAOYSA-N
XLogP0.91
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63580535
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
CID 63581531
3-methyl-2-[4-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperazin-1-yl]butanenitrile
CID 86799289
(2S)-3-methyl-2-[4-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperazin-1-yl]butanenitrile
CID 99630673
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
2-[4-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 75451615
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66231444
1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 42053906
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide (CID 107782874) is 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide is Cc1occc1SCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The InChIKey is OCVPABOWNKKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-11(4-7-19-9)20-8-12(17)16-5-2-10(3-6-16)13(18)15-14/h4,7,10H,2-3,5-6,8,14H2,1H3,(H,15,18).
What are the key properties of 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide has a molecular weight of 297.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 107782874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).