7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole

C12H15NOS — CID 115074861

IUPAC7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OC3CCSC3)c1)NCC2
InChIInChI=1S/C12H15NOS/c1-2-9-4-6-13-12(9)11(3-1)14-10-5-7-15-8-10/h1-3,10,13H,4-8H2
InChIKeyMZQZZKMUWVTPQQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.54
Rot. Bonds2

About 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole

7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole (PubChem CID 115074861) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
PubChem CID115074861
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OC3CCSC3)c1)NCC2
InChIInChI=1S/C12H15NOS/c1-2-9-4-6-13-12(9)11(3-1)14-10-5-7-15-8-10/h1-3,10,13H,4-8H2
InChIKeyMZQZZKMUWVTPQQ-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-cyclohexyloxy-2,3-dihydro-1H-indole
CID 115074855
7-(1-ethylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074953
7-(1-methylpiperidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115075020
4-(thian-4-yloxy)-2,3-dihydro-1H-indole
CID 115074331
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288
3-[[2-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444984
8-(4-ethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 64775069
7-(4-methylthian-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074875
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075643
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
8-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075697
7-(1,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
CID 115074930

Frequently Asked Questions

What is the IUPAC name of 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole?
The IUPAC name of 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole (CID 115074861) is 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole is c1cc2c(c(OC3CCSC3)c1)NCC2.
What is the InChIKey of 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole?
The InChIKey is MZQZZKMUWVTPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-9-4-6-13-12(9)11(3-1)14-10-5-7-15-8-10/h1-3,10,13H,4-8H2.
What are the key properties of 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole?
7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole has a molecular weight of 221.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(thiolan-3-yloxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).