5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one

C17H24N2O3S — CID 56730285

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1
InChIInChI=1S/C17H24N2O3S/c1-11-7-12(2)10-19(9-11)23(21,22)13-5-6-15-14(8-13)17(3,4)16(20)18-15/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,20)
InChIKeyCJHQTGKWRACOLD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.58
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one (PubChem CID 56730285) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
PubChem CID56730285
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1
InChIInChI=1S/C17H24N2O3S/c1-11-7-12(2)10-19(9-11)23(21,22)13-5-6-15-14(8-13)17(3,4)16(20)18-15/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,20)
InChIKeyCJHQTGKWRACOLD-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one (CID 56730285) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one?
The InChIKey is CJHQTGKWRACOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-7-12(2)10-19(9-11)23(21,22)13-5-6-15-14(8-13)17(3,4)16(20)18-15/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,20).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 56730285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).