3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol

C12H15NOS — CID 79949446

IUPAC3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
SMILESOC1(C2Cc3ccccc3N2)CCSC1
InChIInChI=1S/C12H15NOS/c14-12(5-6-15-8-12)11-7-9-3-1-2-4-10(9)13-11/h1-4,11,13-14H,5-8H2
InChIKeyFEJOUKAFIPBTLY-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.89
Rot. Bonds1

About 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol

3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol (PubChem CID 79949446) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
PubChem CID79949446
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
SMILESOC1(C2Cc3ccccc3N2)CCSC1
InChIInChI=1S/C12H15NOS/c14-12(5-6-15-8-12)11-7-9-3-1-2-4-10(9)13-11/h1-4,11,13-14H,5-8H2
InChIKeyFEJOUKAFIPBTLY-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol (CID 79949446) is 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol is OC1(C2Cc3ccccc3N2)CCSC1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol?
The InChIKey is FEJOUKAFIPBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-12(5-6-15-8-12)11-7-9-3-1-2-4-10(9)13-11/h1-4,11,13-14H,5-8H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol?
3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol has a molecular weight of 221.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol is sourced from PubChem (CID 79949446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).