(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C15H19NO3S — CID 110863894

IUPAC(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C15H19NO3S/c1-11-10-13-4-2-3-5-14(13)16(11)15(17)12-6-8-20(18,19)9-7-12/h2-5,11-12H,6-10H2,1H3
InChIKeyDJCKCBURIZRDSA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.79
Rot. Bonds1

About (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110863894) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID110863894
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C15H19NO3S/c1-11-10-13-4-2-3-5-14(13)16(11)15(17)12-6-8-20(18,19)9-7-12/h2-5,11-12H,6-10H2,1H3
InChIKeyDJCKCBURIZRDSA-UHFFFAOYSA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 42905949
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 24698122
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 110863894) is (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is DJCKCBURIZRDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-10-13-4-2-3-5-14(13)16(11)15(17)12-6-8-20(18,19)9-7-12/h2-5,11-12H,6-10H2,1H3.
What are the key properties of (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 293.39 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110863894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).