3-(oxolan-2-ylsulfanyl)-1H-indole

C12H13NOS — CID 121008561

IUPAC3-(oxolan-2-ylsulfanyl)-1H-indole
SMILESc1ccc2c(SC3CCCO3)c[nH]c2c1
InChIInChI=1S/C12H13NOS/c1-2-5-10-9(4-1)11(8-13-10)15-12-6-3-7-14-12/h1-2,4-5,8,12-13H,3,6-7H2
InChIKeyVXTITOMXPKGBTM-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.40
Rot. Bonds2

About 3-(oxolan-2-ylsulfanyl)-1H-indole

3-(oxolan-2-ylsulfanyl)-1H-indole (PubChem CID 121008561) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(oxolan-2-ylsulfanyl)-1H-indole.

Molecular Properties

Compound Name3-(oxolan-2-ylsulfanyl)-1H-indole
PubChem CID121008561
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name3-(oxolan-2-ylsulfanyl)-1H-indole
SMILESc1ccc2c(SC3CCCO3)c[nH]c2c1
InChIInChI=1S/C12H13NOS/c1-2-5-10-9(4-1)11(8-13-10)15-12-6-3-7-14-12/h1-2,4-5,8,12-13H,3,6-7H2
InChIKeyVXTITOMXPKGBTM-UHFFFAOYSA-N
XLogP3.40
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxan-2-yl)-1H-indole
CID 174577844
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639
3-methoxysulfanyl-1H-indole
CID 141186328
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95616346
[(2S)-oxan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 153373309
oxan-2-yl 3-(1H-indol-3-yl)propanoate
CID 142492756
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylsulfanyl)-1H-indole?
The IUPAC name of 3-(oxolan-2-ylsulfanyl)-1H-indole (CID 121008561) is 3-(oxolan-2-ylsulfanyl)-1H-indole.
What is the SMILES notation for 3-(oxolan-2-ylsulfanyl)-1H-indole?
The canonical SMILES for 3-(oxolan-2-ylsulfanyl)-1H-indole is c1ccc2c(SC3CCCO3)c[nH]c2c1.
What is the InChIKey of 3-(oxolan-2-ylsulfanyl)-1H-indole?
The InChIKey is VXTITOMXPKGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-5-10-9(4-1)11(8-13-10)15-12-6-3-7-14-12/h1-2,4-5,8,12-13H,3,6-7H2.
What are the key properties of 3-(oxolan-2-ylsulfanyl)-1H-indole?
3-(oxolan-2-ylsulfanyl)-1H-indole has a molecular weight of 219.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylsulfanyl)-1H-indole is sourced from PubChem (CID 121008561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).