4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine

C15H20BrNO2S — CID 80668443

IUPAC4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCC(CBr)CC1
InChIInChI=1S/C15H20BrNO2S/c16-11-12-6-8-17(9-7-12)20(18,19)15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2
InChIKeyJLFNFIAIABZULA-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.97
Rot. Bonds3

About 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine

4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine (PubChem CID 80668443) has the molecular formula C15H20BrNO2S and a molecular weight of 358.30 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
PubChem CID80668443
Molecular FormulaC15H20BrNO2S
Molecular Weight358.30 g/mol
Exact Mass357.04
IUPAC Name4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCC(CBr)CC1
InChIInChI=1S/C15H20BrNO2S/c16-11-12-6-8-17(9-7-12)20(18,19)15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2
InChIKeyJLFNFIAIABZULA-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 114801907
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
The IUPAC name of 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine (CID 80668443) is 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
The canonical SMILES for 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
The InChIKey is JLFNFIAIABZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2S/c16-11-12-6-8-17(9-7-12)20(18,19)15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2.
What are the key properties of 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine has a molecular weight of 358.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine is sourced from PubChem (CID 80668443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).