[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol

C16H23NO3S — CID 43574439

IUPAC[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCCCC1CO
InChIInChI=1S/C16H23NO3S/c18-12-15-7-3-4-10-17(15)21(19,20)16-9-8-13-5-1-2-6-14(13)11-16/h8-9,11,15,18H,1-7,10,12H2
InChIKeyHCBNPCZGNUFOEJ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.10
Rot. Bonds3

About [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol

[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol (PubChem CID 43574439) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
PubChem CID43574439
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCCCC1CO
InChIInChI=1S/C16H23NO3S/c18-12-15-7-3-4-10-17(15)21(19,20)16-9-8-13-5-1-2-6-14(13)11-16/h8-9,11,15,18H,1-7,10,12H2
InChIKeyHCBNPCZGNUFOEJ-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
[1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-2-yl]methanol
CID 61407456
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629

Frequently Asked Questions

What is the IUPAC name of [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol (CID 43574439) is [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCCCC1CO.
What is the InChIKey of [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol?
The InChIKey is HCBNPCZGNUFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-12-15-7-3-4-10-17(15)21(19,20)16-9-8-13-5-1-2-6-14(13)11-16/h8-9,11,15,18H,1-7,10,12H2.
What are the key properties of [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol?
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol has a molecular weight of 309.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol is sourced from PubChem (CID 43574439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).