1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one

C20H20N2O5S — CID 154292351

IUPAC1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CC2CC2)c2ccc(S(=O)(=O)c3cccnc3)cc2C12OCCCO2
InChIInChI=1S/C20H20N2O5S/c23-19-20(26-9-2-10-27-20)17-11-15(28(24,25)16-3-1-8-21-12-16)6-7-18(17)22(19)13-14-4-5-14/h1,3,6-8,11-12,14H,2,4-5,9-10,13H2
InChIKeySMFMFXOXJXSYAY-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.26
Rot. Bonds4

About 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 154292351) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID154292351
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CC2CC2)c2ccc(S(=O)(=O)c3cccnc3)cc2C12OCCCO2
InChIInChI=1S/C20H20N2O5S/c23-19-20(26-9-2-10-27-20)17-11-15(28(24,25)16-3-1-8-21-12-16)6-7-18(17)22(19)13-14-4-5-14/h1,3,6-8,11-12,14H,2,4-5,9-10,13H2
InChIKeySMFMFXOXJXSYAY-UHFFFAOYSA-N
XLogP2.26
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-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'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 154292351) is 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CC2CC2)c2ccc(S(=O)(=O)c3cccnc3)cc2C12OCCCO2.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is SMFMFXOXJXSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c23-19-20(26-9-2-10-27-20)17-11-15(28(24,25)16-3-1-8-21-12-16)6-7-18(17)22(19)13-14-4-5-14/h1,3,6-8,11-12,14H,2,4-5,9-10,13H2.
What are the key properties of 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 400.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 154292351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).