6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one

C15H18N2O5S — CID 20931234

IUPAC6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
SMILESCOc1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C15H18N2O5S/c1-16-5-7-17(8-6-16)23(19,20)14-10-11-9-12(21-2)3-4-13(11)22-15(14)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCAAUWSSNKRCCEA-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.74
Rot. Bonds3

About 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one

6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one (PubChem CID 20931234) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
PubChem CID20931234
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
SMILESCOc1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1
InChIInChI=1S/C15H18N2O5S/c1-16-5-7-17(8-6-16)23(19,20)14-10-11-9-12(21-2)3-4-13(11)22-15(14)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCAAUWSSNKRCCEA-UHFFFAOYSA-N
XLogP0.74
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one
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CID 56921805
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
CID 86099382
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-6-methylchromen-2-one
CID 20931245
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 24535149

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one (CID 20931234) is 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one is COc1ccc2oc(=O)c(S(=O)(=O)N3CCN(C)CC3)cc2c1.
What is the InChIKey of 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one?
The InChIKey is CAAUWSSNKRCCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-16-5-7-17(8-6-16)23(19,20)14-10-11-9-12(21-2)3-4-13(11)22-15(14)18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one?
6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one has a molecular weight of 338.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 20931234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).