N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C14H19N3O3S — CID 104773905

IUPACN-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESO=C1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)N1
InChIInChI=1S/C14H19N3O3S/c18-14-7-6-10(17-14)9-16-21(19,20)13-5-1-4-12-11(13)3-2-8-15-12/h1,4-5,10,15-16H,2-3,6-9H2,(H,17,18)
InChIKeyIYBVNHJYUGLEFT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.60
Rot. Bonds4

About N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773905) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773905
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESO=C1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)N1
InChIInChI=1S/C14H19N3O3S/c18-14-7-6-10(17-14)9-16-21(19,20)13-5-1-4-12-11(13)3-2-8-15-12/h1,4-5,10,15-16H,2-3,6-9H2,(H,17,18)
InChIKeyIYBVNHJYUGLEFT-UHFFFAOYSA-N
XLogP0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773789
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773857
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
CID 95968969
N-(1-cyclopentylethyl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773900
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773713
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79959373
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773905) is N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide is O=C1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)N1.
What is the InChIKey of N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is IYBVNHJYUGLEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14-7-6-10(17-14)9-16-21(19,20)13-5-1-4-12-11(13)3-2-8-15-12/h1,4-5,10,15-16H,2-3,6-9H2,(H,17,18).
What are the key properties of N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).