1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C15H27N3O4S — CID 3237516

IUPAC1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C15H27N3O4S/c1-2-23(21,22)18-11-3-6-13(12-18)15(20)16-8-5-10-17-9-4-7-14(17)19/h13H,2-12H2,1H3,(H,16,20)
InChIKeyIHDBGJFNAMDIPC-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.18
Rot. Bonds7

About 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 3237516) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID3237516
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C15H27N3O4S/c1-2-23(21,22)18-11-3-6-13(12-18)15(20)16-8-5-10-17-9-4-7-14(17)19/h13H,2-12H2,1H3,(H,16,20)
InChIKeyIHDBGJFNAMDIPC-UHFFFAOYSA-N
XLogP0.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 3237516) is 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is IHDBGJFNAMDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-2-23(21,22)18-11-3-6-13(12-18)15(20)16-8-5-10-17-9-4-7-14(17)19/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 3237516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).