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

C15H20ClNO2S — CID 63397341

IUPAC3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(CCl)C1
InChIInChI=1S/C15H20ClNO2S/c16-10-12-3-2-8-17(11-12)20(18,19)15-7-6-13-4-1-5-14(13)9-15/h6-7,9,12H,1-5,8,10-11H2
InChIKeyREXBGMHOPONGGI-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.81
Rot. Bonds3

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

3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine (PubChem CID 63397341) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
PubChem CID63397341
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(CCl)C1
InChIInChI=1S/C15H20ClNO2S/c16-10-12-3-2-8-17(11-12)20(18,19)15-7-6-13-4-1-5-14(13)9-15/h6-7,9,12H,1-5,8,10-11H2
InChIKeyREXBGMHOPONGGI-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.81
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

3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 114801907
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119984380
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
The IUPAC name of 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine (CID 63397341) is 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
The canonical SMILES for 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
The InChIKey is REXBGMHOPONGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c16-10-12-3-2-8-17(11-12)20(18,19)15-7-6-13-4-1-5-14(13)9-15/h6-7,9,12H,1-5,8,10-11H2.
What are the key properties of 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine?
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine has a molecular weight of 313.85 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine is sourced from PubChem (CID 63397341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).