5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide

C14H15N3O3S — CID 168718375

IUPAC5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)12-6-14(18)17(9-12)8-10-5-11-3-1-2-4-13(11)16-7-10/h1-5,7,12H,6,8-9H2,(H2,15,19,20)
InChIKeyZJLMJCVMWPHQEH-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.62
Rot. Bonds3

About 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide

5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide (PubChem CID 168718375) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
PubChem CID168718375
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)12-6-14(18)17(9-12)8-10-5-11-3-1-2-4-13(11)16-7-10/h1-5,7,12H,6,8-9H2,(H2,15,19,20)
InChIKeyZJLMJCVMWPHQEH-UHFFFAOYSA-N
XLogP0.62
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673804
1-(quinolin-3-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671135
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718330
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718272
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
[5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682169
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947
2-(naphthalen-2-ylmethyl)-8-(quinolin-3-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398287

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide (CID 168718375) is 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2cnc3ccccc3c2)C1.
What is the InChIKey of 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide?
The InChIKey is ZJLMJCVMWPHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-21(19,20)12-6-14(18)17(9-12)8-10-5-11-3-1-2-4-13(11)16-7-10/h1-5,7,12H,6,8-9H2,(H2,15,19,20).
What are the key properties of 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide?
5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).