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

C15H21NO3S — CID 43574426

IUPAC[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCCC1CO
InChIInChI=1S/C15H21NO3S/c17-11-14-6-1-2-9-16(14)20(18,19)15-8-7-12-4-3-5-13(12)10-15/h7-8,10,14,17H,1-6,9,11H2
InChIKeyQAJOZWVPQVLNRY-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.71
Rot. Bonds3

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

[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol (PubChem CID 43574426) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
PubChem CID43574426
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCCCC1CO
InChIInChI=1S/C15H21NO3S/c17-11-14-6-1-2-9-16(14)20(18,19)15-8-7-12-4-3-5-13(12)10-15/h7-8,10,14,17H,1-6,9,11H2
InChIKeyQAJOZWVPQVLNRY-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
CID 61407456
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
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-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol (CID 43574426) is [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol is O=S(=O)(c1ccc2c(c1)CCC2)N1CCCCC1CO.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol?
The InChIKey is QAJOZWVPQVLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-11-14-6-1-2-9-16(14)20(18,19)15-8-7-12-4-3-5-13(12)10-15/h7-8,10,14,17H,1-6,9,11H2.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol?
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol has a molecular weight of 295.40 g/mol, XLogP of 1.71, 3 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-2-yl]methanol is sourced from PubChem (CID 43574426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).