8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H24N2O3S — CID 63769472

IUPAC8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CC1CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H24N2O3S/c16-13-6-11-3-4-12(7-13)15(11)19(17,18)9-10-2-1-5-14-8-10/h10-14,16H,1-9H2
InChIKeyHGBAKHNQFYCFFZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.30
Rot. Bonds3

About 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769472) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769472
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CC1CCCNC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H24N2O3S/c16-13-6-11-3-4-12(7-13)15(11)19(17,18)9-10-2-1-5-14-8-10/h10-14,16H,1-9H2
InChIKeyHGBAKHNQFYCFFZ-UHFFFAOYSA-N
XLogP0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(cyclohexylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719768
9-(cyclopropylmethylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719187
3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 103535343
2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62331848
4-(piperidin-3-ylmethylsulfonyl)-1,4-thiazepane
CID 54972395
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
[4-(piperidin-3-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81205073
8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763350
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931
1-piperidin-1-yl-2-(piperidin-3-ylmethylsulfonyl)ethanone
CID 82182083
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876252

Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63769472) is 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(CC1CCCNC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HGBAKHNQFYCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-13-6-11-3-4-12(7-13)15(11)19(17,18)9-10-2-1-5-14-8-10/h10-14,16H,1-9H2.
What are the key properties of 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 288.41 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).