N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H26N4O3S — CID 55370290

IUPACN,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCC#N)CC2)cc1C
InChIInChI=1S/C20H26N4O3S/c1-16-5-6-19(15-17(16)2)28(26,27)24-13-7-18(8-14-24)20(25)23(11-3-9-21)12-4-10-22/h5-6,15,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyZYMDXOCLYUCXHE-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.36
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55370290) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55370290
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCC#N)CC2)cc1C
InChIInChI=1S/C20H26N4O3S/c1-16-5-6-19(15-17(16)2)28(26,27)24-13-7-18(8-14-24)20(25)23(11-3-9-21)12-4-10-22/h5-6,15,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyZYMDXOCLYUCXHE-UHFFFAOYSA-N
XLogP2.36
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 8795304
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid
CID 119195449
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55980411
1-(3,4-dimethylphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554947
N-cyclohexyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 51147994
N-(3-amino-2,2-dimethylpropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 119653551
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-(3,4-dimethylphenyl)sulfonyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 24548519
1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-bis(cyanomethyl)piperidine-4-carboxamide
CID 60612819
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
1-(3,4-dimethylphenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 26619213

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55370290) is N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCC#N)CC2)cc1C.
What is the InChIKey of N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZYMDXOCLYUCXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-16-5-6-19(15-17(16)2)28(26,27)24-13-7-18(8-14-24)20(25)23(11-3-9-21)12-4-10-22/h5-6,15,18H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55370290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).