(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C17H23N3O5S — CID 71828608

IUPAC(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)n(C)c2cc1OC
InChIInChI=1S/C17H23N3O5S/c1-18-13-11-16(25-3)15(24-2)10-12(13)9-14(18)17(21)19-5-7-20(8-6-19)26(4,22)23/h9-11H,5-8H2,1-4H3
InChIKeyREJXEXAKCVHETO-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.91
Rot. Bonds4

About (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 71828608) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID71828608
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)n(C)c2cc1OC
InChIInChI=1S/C17H23N3O5S/c1-18-13-11-16(25-3)15(24-2)10-12(13)9-14(18)17(21)19-5-7-20(8-6-19)26(4,22)23/h9-11H,5-8H2,1-4H3
InChIKeyREJXEXAKCVHETO-UHFFFAOYSA-N
XLogP0.91
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91958654
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809921
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
(2-amino-6-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81395584
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809887
[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 158422250
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 71828608) is (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is COc1cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)n(C)c2cc1OC.
What is the InChIKey of (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is REJXEXAKCVHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-18-13-11-16(25-3)15(24-2)10-12(13)9-14(18)17(21)19-5-7-20(8-6-19)26(4,22)23/h9-11H,5-8H2,1-4H3.
What are the key properties of (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 381.45 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 71828608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).