5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

C11H11NOS2 — CID 1262426

IUPAC5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESCc1ccc2c(c1)C1(SCCS1)C(=O)N2
InChIInChI=1S/C11H11NOS2/c1-7-2-3-9-8(6-7)11(10(13)12-9)14-4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyZEUBZCDNTJHGFZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.58
Rot. Bonds

About 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (PubChem CID 1262426) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
PubChem CID1262426
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESCc1ccc2c(c1)C1(SCCS1)C(=O)N2
InChIInChI=1S/C11H11NOS2/c1-7-2-3-9-8(6-7)11(10(13)12-9)14-4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyZEUBZCDNTJHGFZ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
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'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (CID 1262426) is 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is Cc1ccc2c(c1)C1(SCCS1)C(=O)N2.
What is the InChIKey of 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The InChIKey is ZEUBZCDNTJHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-7-2-3-9-8(6-7)11(10(13)12-9)14-4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one has a molecular weight of 237.35 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 1262426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).