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

C18H23N3O2S — CID 163349602

IUPACN-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
SMILESCN(C1CCN(c2ccnc3ccccc23)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C18H23N3O2S/c1-20(24(22,23)15-6-7-15)14-9-12-21(13-10-14)18-8-11-19-17-5-3-2-4-16(17)18/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3
InChIKeyGIIXCQVGTIXBLG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.63
Rot. Bonds4

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

N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide (PubChem CID 163349602) 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-4-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
PubChem CID163349602
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
SMILESCN(C1CCN(c2ccnc3ccccc23)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C18H23N3O2S/c1-20(24(22,23)15-6-7-15)14-9-12-21(13-10-14)18-8-11-19-17-5-3-2-4-16(17)18/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3
InChIKeyGIIXCQVGTIXBLG-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-3-yl)cyclopropanesulfonamide
CID 163346580
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
methyl (1-quinolin-4-ylpiperidin-4-yl)methanesulfonate
CID 175183982
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 163349592
N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 175650893
N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 155800764
1-quinolin-4-ylpiperidin-4-one
CID 22000285
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
CID 157041181

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide (CID 163349602) is N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide is CN(C1CCN(c2ccnc3ccccc23)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
The InChIKey is GIIXCQVGTIXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(24(22,23)15-6-7-15)14-9-12-21(13-10-14)18-8-11-19-17-5-3-2-4-16(17)18/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3.
What are the key properties of N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
N-methyl-N-(1-quinolin-4-ylpiperidin-4-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-4-yl)cyclopropanesulfonamide is sourced from PubChem (CID 163349602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).