1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one

C16H23N3O3S — CID 22518794

IUPAC1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1
InChIInChI=1S/C16H23N3O3S/c1-16(2)13-11-12(5-6-14(13)18(4)15(16)20)23(21,22)19-9-7-17(3)8-10-19/h5-6,11H,7-10H2,1-4H3
InChIKeyCSNJKUTTWAHCGO-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.88
Rot. Bonds2

About 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one

1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one (PubChem CID 22518794) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one
PubChem CID22518794
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1
InChIInChI=1S/C16H23N3O3S/c1-16(2)13-11-12(5-6-14(13)18(4)15(16)20)23(21,22)19-9-7-17(3)8-10-19/h5-6,11H,7-10H2,1-4H3
InChIKeyCSNJKUTTWAHCGO-UHFFFAOYSA-N
XLogP0.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one (CID 22518794) is 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one is CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1.
What is the InChIKey of 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one?
The InChIKey is CSNJKUTTWAHCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-16(2)13-11-12(5-6-14(13)18(4)15(16)20)23(21,22)19-9-7-17(3)8-10-19/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one?
1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one has a molecular weight of 337.45 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-(4-methylpiperazin-1-yl)sulfonylindol-2-one is sourced from PubChem (CID 22518794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).