1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one

C16H17NO3S2 — CID 3237981

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C16H17NO3S2/c1-12-11-13-5-2-3-6-14(13)17(12)15(18)8-10-22(19,20)16-7-4-9-21-16/h2-7,9,12H,8,10-11H2,1H3
InChIKeyVNJFOLOLQRLHSU-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one

1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one (PubChem CID 3237981) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one
PubChem CID3237981
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C16H17NO3S2/c1-12-11-13-5-2-3-6-14(13)17(12)15(18)8-10-22(19,20)16-7-4-9-21-16/h2-7,9,12H,8,10-11H2,1H3
InChIKeyVNJFOLOLQRLHSU-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-{[(2-thienylmethyl)amino]sulfonyl}indolin-2-one
CID 1511491
1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
1-(2,3-Dihydroindol-1-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 759092
1-[3-(2-Thienyl)acryloyl]indoline
CID 885474
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
2-Benzylsulfonyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 977839
2,3-Dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 2576382
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 2971209
1-[(Phenylsulfonyl)acetyl]indoline
CID 2990897
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
3-(4-Methylphenyl)-2-(2-thienyl)-1,3-thiazolan-4-one
CID 2999563

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one (CID 3237981) is 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one is CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one?
The InChIKey is VNJFOLOLQRLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-12-11-13-5-2-3-6-14(13)17(12)15(18)8-10-22(19,20)16-7-4-9-21-16/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one?
1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one has a molecular weight of 335.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-3-thiophen-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 3237981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).