2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone

C18H27N3O6S — CID 3457818

IUPAC2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1OC
InChIInChI=1S/C18H27N3O6S/c1-25-16-4-3-15(13-17(16)26-2)28(23,24)21-7-5-19(6-8-21)14-18(22)20-9-11-27-12-10-20/h3-4,13H,5-12,14H2,1-2H3
InChIKeyLOYGBRYINBCXKD-UHFFFAOYSA-N
MW413.50 g/mol
LogP-0.13
Rot. Bonds6

About 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 3457818) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID3457818
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC Name2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1OC
InChIInChI=1S/C18H27N3O6S/c1-25-16-4-3-15(13-17(16)26-2)28(23,24)21-7-5-19(6-8-21)14-18(22)20-9-11-27-12-10-20/h3-4,13H,5-12,14H2,1-2H3
InChIKeyLOYGBRYINBCXKD-UHFFFAOYSA-N
XLogP-0.13
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
3,4-Dimethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 969641
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
1-Ethyl-4-((4-(2-methoxyphenoxy)phenyl)sulfonyl)piperazine
CID 1190535
N-(2-Azepan-1-yl-2-oxo-ethyl)-3,4-dimethoxy-N-methyl-benzenesulfonamide
CID 1085404
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methoxyphenyl)sulfonylpiperazine
CID 25243709
1-(2,6-Difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
CID 25243734
4-(2,6-Difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-2-one
CID 25243737
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2946677
2-[(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-methyl-amino]-N-(2-methoxy-ethyl)-acetamide
CID 649997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone (CID 3457818) is 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone is COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LOYGBRYINBCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-25-16-4-3-15(13-17(16)26-2)28(23,24)21-7-5-19(6-8-21)14-18(22)20-9-11-27-12-10-20/h3-4,13H,5-12,14H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 413.50 g/mol, XLogP of -0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 3457818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).