1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one

C14H17NO3S — CID 43084113

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C14H17NO3S/c16-13-6-8-15(9-7-13)19(17,18)14-5-4-11-2-1-3-12(11)10-14/h4-5,10H,1-3,6-9H2
InChIKeyVHJYDKDHLWRREG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.53
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one (PubChem CID 43084113) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
PubChem CID43084113
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C14H17NO3S/c16-13-6-8-15(9-7-13)19(17,18)14-5-4-11-2-1-3-12(11)10-14/h4-5,10H,1-3,6-9H2
InChIKeyVHJYDKDHLWRREG-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 26945246
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
3-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-ol
CID 51225596
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one (CID 43084113) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one is O=C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one?
The InChIKey is VHJYDKDHLWRREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-13-6-8-15(9-7-13)19(17,18)14-5-4-11-2-1-3-12(11)10-14/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one has a molecular weight of 279.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one is sourced from PubChem (CID 43084113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).