6-(thietan-3-yloxy)-2,3-dihydro-1H-indole

C11H13NOS — CID 115074762

IUPAC6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OC1CSC1)NCC2
InChIInChI=1S/C11H13NOS/c1-2-9(13-10-6-14-7-10)5-11-8(1)3-4-12-11/h1-2,5,10,12H,3-4,6-7H2
InChIKeyYDQRAZKDZYWULV-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.15
Rot. Bonds2

About 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole

6-(thietan-3-yloxy)-2,3-dihydro-1H-indole (PubChem CID 115074762) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
PubChem CID115074762
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OC1CSC1)NCC2
InChIInChI=1S/C11H13NOS/c1-2-9(13-10-6-14-7-10)5-11-8(1)3-4-12-11/h1-2,5,10,12H,3-4,6-7H2
InChIKeyYDQRAZKDZYWULV-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole (CID 115074762) is 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole is c1cc2c(cc1OC1CSC1)NCC2.
What is the InChIKey of 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
The InChIKey is YDQRAZKDZYWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-9(13-10-6-14-7-10)5-11-8(1)3-4-12-11/h1-2,5,10,12H,3-4,6-7H2.
What are the key properties of 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole?
6-(thietan-3-yloxy)-2,3-dihydro-1H-indole has a molecular weight of 207.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thietan-3-yloxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).