3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide

C20H32N4O3S — CID 136727250

IUPAC3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCCC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C20H32N4O3S/c1-2-12-21-20(22-13-11-18-9-6-15-27-18)24-14-5-10-19(16-24)28(25,26)23-17-7-3-4-8-17/h2,6,9,15,17,19,23H,1,3-5,7-8,10-14,16H2,(H,21,22)
InChIKeyYJQPNWRMBGABNP-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.28
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide

3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide (PubChem CID 136727250) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide
PubChem CID136727250
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCCC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C20H32N4O3S/c1-2-12-21-20(22-13-11-18-9-6-15-27-18)24-14-5-10-19(16-24)28(25,26)23-17-7-3-4-8-17/h2,6,9,15,17,19,23H,1,3-5,7-8,10-14,16H2,(H,21,22)
InChIKeyYJQPNWRMBGABNP-UHFFFAOYSA-N
XLogP2.28
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 136727011
methyl 1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidine-4-carboxylate
CID 136924166
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide
CID 136727066
2-[1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 136727088
N'-[2-(furan-2-yl)ethyl]-3-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-7-carboximidamide
CID 137032152
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251
N'-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethylsulfonyl)-N-prop-2-enylpiperazine-1-carboximidamide
CID 136727102
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide (CID 136727250) is 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide is C=CCN/C(=N\CCc1ccco1)N1CCCC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide?
The InChIKey is YJQPNWRMBGABNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-2-12-21-20(22-13-11-18-9-6-15-27-18)24-14-5-10-19(16-24)28(25,26)23-17-7-3-4-8-17/h2,6,9,15,17,19,23H,1,3-5,7-8,10-14,16H2,(H,21,22).
What are the key properties of 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide?
3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide has a molecular weight of 408.57 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperidine-1-carboximidamide is sourced from PubChem (CID 136727250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).