N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H23N3O3S — CID 8795304

IUPACN-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC#N)CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-14-4-6-16(7-5-14)24(22,23)20-12-8-15(9-13-20)17(21)19(2)11-3-10-18/h4-7,15H,3,8-9,11-13H2,1-2H3
InChIKeyXNUBZMSUIPEBFW-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.77
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 8795304) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID8795304
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC#N)CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-14-4-6-16(7-5-14)24(22,23)20-12-8-15(9-13-20)17(21)19(2)11-3-10-18/h4-7,15H,3,8-9,11-13H2,1-2H3
InChIKeyXNUBZMSUIPEBFW-UHFFFAOYSA-N
XLogP1.77
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 119658992
N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55370290
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207581
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649266
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 71901894
N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 134006146
1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86892187

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 8795304) is N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC#N)CC2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XNUBZMSUIPEBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14-4-6-16(7-5-14)24(22,23)20-12-8-15(9-13-20)17(21)19(2)11-3-10-18/h4-7,15H,3,8-9,11-13H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 8795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).