1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone

C14H17NO3S — CID 102662186

IUPAC1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC1CC1
InChIInChI=1S/C14H17NO3S/c1-10(16)12-4-5-14-13(8-12)6-7-15(14)19(17,18)9-11-2-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyWBDKBDGJYJEREU-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.99
Rot. Bonds4

About 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone

1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone (PubChem CID 102662186) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
PubChem CID102662186
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC1CC1
InChIInChI=1S/C14H17NO3S/c1-10(16)12-4-5-14-13(8-12)6-7-15(14)19(17,18)9-11-2-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyWBDKBDGJYJEREU-UHFFFAOYSA-N
XLogP1.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170
ethyl 2-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]acetate
CID 102662175
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
1-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737439
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224
1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737425
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-cyclopropylacetamide
CID 102662276
methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
CID 129479747
methyl 1-benzylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47019071
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone (CID 102662186) is 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is WBDKBDGJYJEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10(16)12-4-5-14-13(8-12)6-7-15(14)19(17,18)9-11-2-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone?
1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 279.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 102662186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).