2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone

C14H15NO3S — CID 10850154

IUPAC2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone
SMILESO=C(CC1CCCS1(=O)=O)n1ccc2ccccc21
InChIInChI=1S/C14H15NO3S/c16-14(10-12-5-3-9-19(12,17)18)15-8-7-11-4-1-2-6-13(11)15/h1-2,4,6-8,12H,3,5,9-10H2
InChIKeyLOKVHUXKGNUAAH-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.25
Rot. Bonds2

About 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone

2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone (PubChem CID 10850154) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone
PubChem CID10850154
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone
SMILESO=C(CC1CCCS1(=O)=O)n1ccc2ccccc21
InChIInChI=1S/C14H15NO3S/c16-14(10-12-5-3-9-19(12,17)18)15-8-7-11-4-1-2-6-13(11)15/h1-2,4,6-8,12H,3,5,9-10H2
InChIKeyLOKVHUXKGNUAAH-UHFFFAOYSA-N
XLogP2.25
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-indol-1-yl-2-phenylethanone
CID 118536016
1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone
CID 100936144
4-indol-1-yl-4-oxobutanamide
CID 84553197
N-cyclopentylindole-1-carboxamide
CID 141083697
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone
CID 118225626
1-indol-1-yloctadecan-1-one
CID 58661273
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
1-indol-1-ylethanone;hydrochloride
CID 21333501
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone
CID 46928296
1-(1,1-dioxothiolan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 81038373

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone (CID 10850154) is 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone is O=C(CC1CCCS1(=O)=O)n1ccc2ccccc21.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone?
The InChIKey is LOKVHUXKGNUAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(10-12-5-3-9-19(12,17)18)15-8-7-11-4-1-2-6-13(11)15/h1-2,4,6-8,12H,3,5,9-10H2.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone?
2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone has a molecular weight of 277.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone is sourced from PubChem (CID 10850154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).