2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone

C18H25NO2S — CID 71981039

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CS(=O)Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25NO2S/c1-14-7-9-19(10-8-14)18(20)13-22(21)12-15-5-6-16-3-2-4-17(16)11-15/h5-6,11,14H,2-4,7-10,12-13H2,1H3
InChIKeyJEFWBFCXXZTKHR-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.68
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 71981039) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID71981039
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CS(=O)Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25NO2S/c1-14-7-9-19(10-8-14)18(20)13-22(21)12-15-5-6-16-3-2-4-17(16)11-15/h5-6,11,14H,2-4,7-10,12-13H2,1H3
InChIKeyJEFWBFCXXZTKHR-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[(4R)-4-methylazepan-1-yl]propan-1-one
CID 95248236
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 78882437
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35329051
2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 110005548
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 126788774
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 71981039) is 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CS(=O)Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is JEFWBFCXXZTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-14-7-9-19(10-8-14)18(20)13-22(21)12-15-5-6-16-3-2-4-17(16)11-15/h5-6,11,14H,2-4,7-10,12-13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 319.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).