N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide

C15H19N3O2S — CID 119974476

IUPACN-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccc2cccnc12)NCC1CCCN1
InChIInChI=1S/C15H19N3O2S/c19-21(20,18-10-14-7-3-8-16-14)11-13-5-1-4-12-6-2-9-17-15(12)13/h1-2,4-6,9,14,16,18H,3,7-8,10-11H2
InChIKeyYKZDIKWKBQHRBL-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.41
Rot. Bonds5

About N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide

N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide (PubChem CID 119974476) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
PubChem CID119974476
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccc2cccnc12)NCC1CCCN1
InChIInChI=1S/C15H19N3O2S/c19-21(20,18-10-14-7-3-8-16-14)11-13-5-1-4-12-6-2-9-17-15(12)13/h1-2,4-6,9,14,16,18H,3,7-8,10-11H2
InChIKeyYKZDIKWKBQHRBL-UHFFFAOYSA-N
XLogP1.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
CID 119960786
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
N-(quinolin-8-ylmethylsulfonyl)cyclopropanecarboxamide
CID 155945521
8-(piperidin-2-ylmethoxymethyl)quinoline
CID 62341251
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651
N-(pyrrolidin-2-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 66570297
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
CID 128968376
N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
N-(1-piperidin-2-ylpropan-2-yl)quinolin-8-amine
CID 79549224
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide (CID 119974476) is N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide is O=S(=O)(Cc1cccc2cccnc12)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is YKZDIKWKBQHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-21(20,18-10-14-7-3-8-16-14)11-13-5-1-4-12-6-2-9-17-15(12)13/h1-2,4-6,9,14,16,18H,3,7-8,10-11H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide?
N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 119974476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).