1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide

C13H25N3O3S — CID 168718145

IUPAC1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CCCN2CCCCCC2)C1
InChIInChI=1S/C13H25N3O3S/c14-20(18,19)12-10-13(17)16(11-12)9-5-8-15-6-3-1-2-4-7-15/h12H,1-11H2,(H2,14,18,19)
InChIKeySCESOUUBDMCDIQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.14
Rot. Bonds5

About 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide

1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718145) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718145
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CCCN2CCCCCC2)C1
InChIInChI=1S/C13H25N3O3S/c14-20(18,19)12-10-13(17)16(11-12)9-5-8-15-6-3-1-2-4-7-15/h12H,1-11H2,(H2,14,18,19)
InChIKeySCESOUUBDMCDIQ-UHFFFAOYSA-N
XLogP0.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717537
5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676412
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
CID 168716757
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719152
1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717057
1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718162
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718145) is 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(CCCN2CCCCCC2)C1.
What is the InChIKey of 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is SCESOUUBDMCDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-20(18,19)12-10-13(17)16(11-12)9-5-8-15-6-3-1-2-4-7-15/h12H,1-11H2,(H2,14,18,19).
What are the key properties of 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide?
1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).