3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide

C17H23N3O4S — CID 110634356

IUPAC3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)N2CCC(C#N)CC2)c1
InChIInChI=1S/C17H23N3O4S/c1-13(17(21)20-8-6-14(11-18)7-9-20)12-25(22,23)19-15-4-3-5-16(10-15)24-2/h3-5,10,13-14,19H,6-9,12H2,1-2H3
InChIKeyAAFYTVDOAHFFJV-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.84
Rot. Bonds6

About 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide

3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide (PubChem CID 110634356) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide
PubChem CID110634356
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)N2CCC(C#N)CC2)c1
InChIInChI=1S/C17H23N3O4S/c1-13(17(21)20-8-6-14(11-18)7-9-20)12-25(22,23)19-15-4-3-5-16(10-15)24-2/h3-5,10,13-14,19H,6-9,12H2,1-2H3
InChIKeyAAFYTVDOAHFFJV-UHFFFAOYSA-N
XLogP1.84
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411787
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110409522
N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110415867
N-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110426759
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide?
The IUPAC name of 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide (CID 110634356) is 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide.
What is the SMILES notation for 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide?
The canonical SMILES for 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide is COc1cccc(NS(=O)(=O)CC(C)C(=O)N2CCC(C#N)CC2)c1.
What is the InChIKey of 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide?
The InChIKey is AAFYTVDOAHFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13(17(21)20-8-6-14(11-18)7-9-20)12-25(22,23)19-15-4-3-5-16(10-15)24-2/h3-5,10,13-14,19H,6-9,12H2,1-2H3.
What are the key properties of 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide?
3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide is sourced from PubChem (CID 110634356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).