2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole

C11H10N2OS2 — CID 14585498

IUPAC2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
SMILESCS(=O)C1=NCc2c([nH]c3ccccc23)S1
InChIInChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
InChIKeyYUXKTUVIOWXKPA-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.51
Rot. Bonds

About 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole

2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole (PubChem CID 14585498) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole.

Molecular Properties

Compound Name2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
PubChem CID14585498
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
SMILESCS(=O)C1=NCc2c([nH]c3ccccc23)S1
InChIInChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3
InChIKeyYUXKTUVIOWXKPA-UHFFFAOYSA-N
XLogP2.51
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
The IUPAC name of 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole (CID 14585498) is 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole.
What is the SMILES notation for 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
The canonical SMILES for 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole is CS(=O)C1=NCc2c([nH]c3ccccc23)S1.
What is the InChIKey of 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
The InChIKey is YUXKTUVIOWXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c1-16(14)11-12-6-8-7-4-2-3-5-9(7)13-10(8)15-11/h2-5,13H,6H2,1H3.
What are the key properties of 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole has a molecular weight of 250.35 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole is sourced from PubChem (CID 14585498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).