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

C16H29N3O4S — CID 3244262

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C16H29N3O4S/c1-2-12-24(22,23)19-11-3-6-14(13-19)16(21)17-8-5-10-18-9-4-7-15(18)20/h14H,2-13H2,1H3,(H,17,21)
InChIKeyBEXNXDXLBJSFRA-UHFFFAOYSA-N
MW359.49 g/mol
LogP0.57
Rot. Bonds8

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

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3244262) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3244262
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C16H29N3O4S/c1-2-12-24(22,23)19-11-3-6-14(13-19)16(21)17-8-5-10-18-9-4-7-15(18)20/h14H,2-13H2,1H3,(H,17,21)
InChIKeyBEXNXDXLBJSFRA-UHFFFAOYSA-N
XLogP0.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.57
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 N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3244262) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is BEXNXDXLBJSFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-2-12-24(22,23)19-11-3-6-14(13-19)16(21)17-8-5-10-18-9-4-7-15(18)20/h14H,2-13H2,1H3,(H,17,21).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3244262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).