3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide

C15H19N3O2S — CID 80562775

IUPAC3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC3CCNC3)cccc2c1
InChIInChI=1S/C15H19N3O2S/c1-11-7-13-3-2-4-14(15(13)17-8-11)21(19,20)18-10-12-5-6-16-9-12/h2-4,7-8,12,16,18H,5-6,9-10H2,1H3
InChIKeyJSPNFDAVFCYFCD-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.43
Rot. Bonds4

About 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide

3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide (PubChem CID 80562775) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
PubChem CID80562775
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC3CCNC3)cccc2c1
InChIInChI=1S/C15H19N3O2S/c1-11-7-13-3-2-4-14(15(13)17-8-11)21(19,20)18-10-12-5-6-16-9-12/h2-4,7-8,12,16,18H,5-6,9-10H2,1H3
InChIKeyJSPNFDAVFCYFCD-UHFFFAOYSA-N
XLogP1.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
CID 119960624
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
CID 120720909
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 119976613
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
CID 62673138
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide (CID 80562775) is 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCC3CCNC3)cccc2c1.
What is the InChIKey of 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is JSPNFDAVFCYFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-7-13-3-2-4-14(15(13)17-8-11)21(19,20)18-10-12-5-6-16-9-12/h2-4,7-8,12,16,18H,5-6,9-10H2,1H3.
What are the key properties of 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide?
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 80562775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).