[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium

C15H19N2O3S+ — CID 2531903

IUPAC[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S/c1-11-8-12-4-2-3-5-14(12)17(11)15(18)9-16-13-6-7-21(19,20)10-13/h2-7,11,13,16H,8-10H2,1H3/p+1/t11-,13-/m1/s1
InChIKeySZUWOVFFWVTLJS-DGCLKSJQSA-O
MW307.39 g/mol
LogP-0.16
Rot. Bonds3

About [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium

[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium (PubChem CID 2531903) has the molecular formula C15H19N2O3S+ and a molecular weight of 307.39 g/mol. Its IUPAC name is [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium
PubChem CID2531903
Molecular FormulaC15H19N2O3S+
Molecular Weight307.39 g/mol
Exact Mass307.11
IUPAC Name[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S/c1-11-8-12-4-2-3-5-14(12)17(11)15(18)9-16-13-6-7-21(19,20)10-13/h2-7,11,13,16H,8-10H2,1H3/p+1/t11-,13-/m1/s1
InChIKeySZUWOVFFWVTLJS-DGCLKSJQSA-O
XLogP-0.16
TPSA71.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2531901
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7437096
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 103154159
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium?
The IUPAC name of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium (CID 2531903) is [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium.
What is the SMILES notation for [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium?
The canonical SMILES for [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium is C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium?
The InChIKey is SZUWOVFFWVTLJS-DGCLKSJQSA-O. The full InChI is InChI=1S/C15H18N2O3S/c1-11-8-12-4-2-3-5-14(12)17(11)15(18)9-16-13-6-7-21(19,20)10-13/h2-7,11,13,16H,8-10H2,1H3/p+1/t11-,13-/m1/s1.
What are the key properties of [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium?
[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium has a molecular weight of 307.39 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]azanium is sourced from PubChem (CID 2531903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).