2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine

C17H22N2O4S2 — CID 110293430

IUPAC2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ccc(C2CN(S(=O)(=O)c3cccs3)CCN2C)cc1OC
InChIInChI=1S/C17H22N2O4S2/c1-18-8-9-19(25(20,21)17-5-4-10-24-17)12-14(18)13-6-7-15(22-2)16(11-13)23-3/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyXNGDPNBHNLLDOT-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.44
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine

2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 110293430) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID110293430
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ccc(C2CN(S(=O)(=O)c3cccs3)CCN2C)cc1OC
InChIInChI=1S/C17H22N2O4S2/c1-18-8-9-19(25(20,21)17-5-4-10-24-17)12-14(18)13-6-7-15(22-2)16(11-13)23-3/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyXNGDPNBHNLLDOT-UHFFFAOYSA-N
XLogP2.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 129334414
4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293346
4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293341
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
4-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110602947
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019231
2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
CID 110418700
3-(3,4-dimethoxyphenyl)-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 30848894
(4R)-1-(2-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 41013683
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine (CID 110293430) is 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine is COc1ccc(C2CN(S(=O)(=O)c3cccs3)CCN2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is XNGDPNBHNLLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-18-8-9-19(25(20,21)17-5-4-10-24-17)12-14(18)13-6-7-15(22-2)16(11-13)23-3/h4-7,10-11,14H,8-9,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine?
2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 382.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 110293430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).