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

C17H24N2O3S — CID 22518776

IUPAC1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one
SMILESCC1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1
InChIInChI=1S/C17H24N2O3S/c1-12-6-5-9-19(11-12)23(21,22)13-7-8-15-14(10-13)17(2,3)16(20)18(15)4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyIDBOUOSQDHZWGW-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.36
Rot. Bonds2

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

1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one (PubChem CID 22518776) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one
PubChem CID22518776
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one
SMILESCC1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1
InChIInChI=1S/C17H24N2O3S/c1-12-6-5-9-19(11-12)23(21,22)13-7-8-15-14(10-13)17(2,3)16(20)18(15)4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyIDBOUOSQDHZWGW-UHFFFAOYSA-N
XLogP2.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one (CID 22518776) is 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one is CC1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1.
What is the InChIKey of 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one?
The InChIKey is IDBOUOSQDHZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-6-5-9-19(11-12)23(21,22)13-7-8-15-14(10-13)17(2,3)16(20)18(15)4/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one?
1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-(3-methylpiperidin-1-yl)sulfonylindol-2-one is sourced from PubChem (CID 22518776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).