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

C14H19NO3S — CID 43394280

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(O)C1
InChIInChI=1S/C14H19NO3S/c16-13-5-2-8-15(10-13)19(17,18)14-7-6-11-3-1-4-12(11)9-14/h6-7,9,13,16H,1-5,8,10H2
InChIKeyDWDLWVBDXIFXGB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.32
Rot. Bonds2

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

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol (PubChem CID 43394280) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
PubChem CID43394280
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(O)C1
InChIInChI=1S/C14H19NO3S/c16-13-5-2-8-15(10-13)19(17,18)14-7-6-11-3-1-4-12(11)9-14/h6-7,9,13,16H,1-5,8,10H2
InChIKeyDWDLWVBDXIFXGB-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
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
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
CID 119971209
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-ol
CID 43394271
3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 114801907

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol (CID 43394280) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol is O=S(=O)(c1ccc2c(c1)CCC2)N1CCCC(O)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol?
The InChIKey is DWDLWVBDXIFXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-13-5-2-8-15(10-13)19(17,18)14-7-6-11-3-1-4-12(11)9-14/h6-7,9,13,16H,1-5,8,10H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol has a molecular weight of 281.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 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-3-ol is sourced from PubChem (CID 43394280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).