1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one

C20H28N2O6S — CID 91047024

IUPAC1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)(O)CCN1C(=O)C2(OCCCO2)c2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C20H28N2O6S/c1-19(2,24)8-11-22-17-7-6-15(29(25,26)21-9-3-4-10-21)14-16(17)20(18(22)23)27-12-5-13-28-20/h6-7,14,24H,3-5,8-13H2,1-2H3
InChIKeyOYNJYAXOZQPXHO-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.57
Rot. Bonds5

About 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 91047024) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID91047024
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Name1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)(O)CCN1C(=O)C2(OCCCO2)c2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C20H28N2O6S/c1-19(2,24)8-11-22-17-7-6-15(29(25,26)21-9-3-4-10-21)14-16(17)20(18(22)23)27-12-5-13-28-20/h6-7,14,24H,3-5,8-13H2,1-2H3
InChIKeyOYNJYAXOZQPXHO-UHFFFAOYSA-N
XLogP1.57
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

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Related Compounds

1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
CID 91938381
5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 46834728
1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
CID 11681587
1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889419
3,3-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767646
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 141196357
N-(1'-butyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-5'-yl)cyclopentanecarboxamide
CID 46830977
5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196256
1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 154292351

Frequently Asked Questions

What is the IUPAC name of 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 91047024) is 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one is CC(C)(O)CCN1C(=O)C2(OCCCO2)c2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is OYNJYAXOZQPXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-19(2,24)8-11-22-17-7-6-15(29(25,26)21-9-3-4-10-21)14-16(17)20(18(22)23)27-12-5-13-28-20/h6-7,14,24H,3-5,8-13H2,1-2H3.
What are the key properties of 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 424.52 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-hydroxy-3-methylbutyl)-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 91047024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).