N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C13H18N2O3S2 — CID 9442359

IUPACN-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S2/c1-2-7-14-13(16)11-5-8-15(9-6-11)20(17,18)12-4-3-10-19-12/h2-4,10-11H,1,5-9H2,(H,14,16)
InChIKeyVEKIFTMGDIWVCA-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.45
Rot. Bonds5

About N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 9442359) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID9442359
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC NameN-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S2/c1-2-7-14-13(16)11-5-8-15(9-6-11)20(17,18)12-4-3-10-19-12/h2-4,10-11H,1,5-9H2,(H,14,16)
InChIKeyVEKIFTMGDIWVCA-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 9442359) is N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VEKIFTMGDIWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-2-7-14-13(16)11-5-8-15(9-6-11)20(17,18)12-4-3-10-19-12/h2-4,10-11H,1,5-9H2,(H,14,16).
What are the key properties of N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 9442359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).