1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C20H31N3O4S — CID 24816722

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1C
InChIInChI=1S/C20H31N3O4S/c1-16-3-4-19(15-17(16)2)28(25,26)23-8-5-18(6-9-23)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15,18H,5-14H2,1-2H3,(H,21,24)
InChIKeyNYEWNTFFJKGDRS-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.15
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 24816722) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID24816722
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1C
InChIInChI=1S/C20H31N3O4S/c1-16-3-4-19(15-17(16)2)28(25,26)23-8-5-18(6-9-23)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15,18H,5-14H2,1-2H3,(H,21,24)
InChIKeyNYEWNTFFJKGDRS-UHFFFAOYSA-N
XLogP1.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 24816722) is 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is NYEWNTFFJKGDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-16-3-4-19(15-17(16)2)28(25,26)23-8-5-18(6-9-23)20(24)21-7-10-22-11-13-27-14-12-22/h3-4,15,18H,5-14H2,1-2H3,(H,21,24).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24816722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).