3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol

C13H17NOS — CID 84736549

IUPAC3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCc3ccccc32)CCSC1
InChIInChI=1S/C13H17NOS/c15-13(6-8-16-10-13)9-14-7-5-11-3-1-2-4-12(11)14/h1-4,15H,5-10H2
InChIKeyRHFUBVSZKGBDSR-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.92
Rot. Bonds2

About 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol

3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol (PubChem CID 84736549) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol
PubChem CID84736549
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCc3ccccc32)CCSC1
InChIInChI=1S/C13H17NOS/c15-13(6-8-16-10-13)9-14-7-5-11-3-1-2-4-12(11)14/h1-4,15H,5-10H2
InChIKeyRHFUBVSZKGBDSR-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(chloromethyl)-2,3-dihydroindole
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2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
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3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
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2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
[1-(3,4-dihydro-2H-quinolin-1-ylmethyl)cyclopentyl]methanamine
CID 55051906
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol?
The IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol (CID 84736549) is 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol is OC1(CN2CCc3ccccc32)CCSC1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol?
The InChIKey is RHFUBVSZKGBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-13(6-8-16-10-13)9-14-7-5-11-3-1-2-4-12(11)14/h1-4,15H,5-10H2.
What are the key properties of 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol?
3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol has a molecular weight of 235.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 84736549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).