N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide

C22H27N5O3S — CID 166097378

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESN#Cc1ccc(CN2CCC(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1
InChIInChI=1S/C22H27N5O3S/c23-15-18-1-3-19(4-2-18)17-26-9-7-20(8-10-26)25-31(28,29)21-5-6-22(24-16-21)27-11-13-30-14-12-27/h1-6,16,20,25H,7-14,17H2
InChIKeyLMTDQDJCRAPNOO-UHFFFAOYSA-N
MW441.56 g/mol
LogP1.73
Rot. Bonds6

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 166097378) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID166097378
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESN#Cc1ccc(CN2CCC(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1
InChIInChI=1S/C22H27N5O3S/c23-15-18-1-3-19(4-2-18)17-26-9-7-20(8-10-26)25-31(28,29)21-5-6-22(24-16-21)27-11-13-30-14-12-27/h1-6,16,20,25H,7-14,17H2
InChIKeyLMTDQDJCRAPNOO-UHFFFAOYSA-N
XLogP1.73
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide with MolForge

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Related Compounds

N-[(3S)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 166097304
[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonylamino]cyclohexyl]carbamic acid
CID 174214991
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-sulfonamide
CID 166097333
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-[[4-[2-[6-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 147998367
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 162370343
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
CID 166097327
(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-3-(4-cyanophenyl)-N-methylprop-2-enamide;hydrochloride
CID 22918930

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide (CID 166097378) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide is N#Cc1ccc(CN2CCC(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is LMTDQDJCRAPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c23-15-18-1-3-19(4-2-18)17-26-9-7-20(8-10-26)25-31(28,29)21-5-6-22(24-16-21)27-11-13-30-14-12-27/h1-6,16,20,25H,7-14,17H2.
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 441.56 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 166097378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).