1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone

C16H21NO3S — CID 63846556

IUPAC1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3S/c1-12(18)16-7-2-3-10-17(16)21(19,20)15-9-8-13-5-4-6-14(13)11-15/h8-9,11,16H,2-7,10H2,1H3
InChIKeyMKKAHNBTVRRXPB-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.31
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone

1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone (PubChem CID 63846556) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
PubChem CID63846556
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3S/c1-12(18)16-7-2-3-10-17(16)21(19,20)15-9-8-13-5-4-6-14(13)11-15/h8-9,11,16H,2-7,10H2,1H3
InChIKeyMKKAHNBTVRRXPB-UHFFFAOYSA-N
XLogP2.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
(2R)-N-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxamide
CID 35611276
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60548466
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone (CID 63846556) is 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone?
The InChIKey is MKKAHNBTVRRXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12(18)16-7-2-3-10-17(16)21(19,20)15-9-8-13-5-4-6-14(13)11-15/h8-9,11,16H,2-7,10H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone?
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone has a molecular weight of 307.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63846556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).