[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate

C19H23N3O2S — CID 9458136

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
SMILESO=C(CS/C(=N\c1ccccc1)N1CCCCC1)NCc1ccco1
InChIInChI=1S/C19H23N3O2S/c23-18(20-14-17-10-7-13-24-17)15-25-19(22-11-5-2-6-12-22)21-16-8-3-1-4-9-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,20,23)/b21-19-
InChIKeyVUGUDUVIMZLQRS-VZCXRCSSSA-N
MW357.48 g/mol
LogP3.80
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate

[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate (PubChem CID 9458136) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
PubChem CID9458136
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
SMILESO=C(CS/C(=N\c1ccccc1)N1CCCCC1)NCc1ccco1
InChIInChI=1S/C19H23N3O2S/c23-18(20-14-17-10-7-13-24-17)15-25-19(22-11-5-2-6-12-22)21-16-8-3-1-4-9-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,20,23)/b21-19-
InChIKeyVUGUDUVIMZLQRS-VZCXRCSSSA-N
XLogP3.80
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
[2-(furan-2-ylmethylamino)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate
CID 9458141
[2-(4-fluoroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9423322
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
CID 9458143
[2-(3-fluoroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9422915
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
CID 2975846

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate (CID 9458136) is [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate is O=C(CS/C(=N\c1ccccc1)N1CCCCC1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate?
The InChIKey is VUGUDUVIMZLQRS-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(20-14-17-10-7-13-24-17)15-25-19(22-11-5-2-6-12-22)21-16-8-3-1-4-9-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,20,23)/b21-19-.
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate has a molecular weight of 357.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate is sourced from PubChem (CID 9458136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).