N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide

C18H23N3O2S — CID 163346580

IUPACN-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
SMILESCN(C1CCCN(c2ccnc3ccccc23)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C18H23N3O2S/c1-20(24(22,23)15-8-9-15)14-5-4-12-21(13-14)18-10-11-19-17-7-3-2-6-16(17)18/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3
InChIKeyUNYIUNVWRNGRQA-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide

N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide (PubChem CID 163346580) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
PubChem CID163346580
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
SMILESCN(C1CCCN(c2ccnc3ccccc23)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C18H23N3O2S/c1-20(24(22,23)15-8-9-15)14-5-4-12-21(13-14)18-10-11-19-17-7-3-2-6-16(17)18/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3
InChIKeyUNYIUNVWRNGRQA-UHFFFAOYSA-N
XLogP2.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163349602
N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 155800764
N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)morpholine-4-carboxamide
CID 172892057
N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346294
N-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanesulfonamide
CID 154582611
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
3-(1-quinolin-4-ylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370498
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
N-methyl-1-phenyl-N-(1-quinazolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154883300
methyl (1-quinolin-4-ylpiperidin-4-yl)methanesulfonate
CID 175183982
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide (CID 163346580) is N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide is CN(C1CCCN(c2ccnc3ccccc23)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
The InChIKey is UNYIUNVWRNGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(24(22,23)15-8-9-15)14-5-4-12-21(13-14)18-10-11-19-17-7-3-2-6-16(17)18/h2-3,6-7,10-11,14-15H,4-5,8-9,12-13H2,1H3.
What are the key properties of N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide?
N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide is sourced from PubChem (CID 163346580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).