1-(tert-butylsulfonimidoyl)piperidin-4-ol

C9H20N2O2S — CID 164644450

IUPAC1-(tert-butylsulfonimidoyl)piperidin-4-ol
SMILES[H]N=S(=O)(N1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)14(10,13)11-6-4-8(12)5-7-11/h8,10,12H,4-7H2,1-3H3
InChIKeyROPZBYMGOVKBIK-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.20
Rot. Bonds1

About 1-(tert-butylsulfonimidoyl)piperidin-4-ol

1-(tert-butylsulfonimidoyl)piperidin-4-ol (PubChem CID 164644450) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(tert-butylsulfonimidoyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(tert-butylsulfonimidoyl)piperidin-4-ol
PubChem CID164644450
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(tert-butylsulfonimidoyl)piperidin-4-ol
SMILES[H]N=S(=O)(N1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)14(10,13)11-6-4-8(12)5-7-11/h8,10,12H,4-7H2,1-3H3
InChIKeyROPZBYMGOVKBIK-UHFFFAOYSA-N
XLogP1.20
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane
CID 164644449
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 91759163
N-(disulfanyl)-4-hydroxypiperidine-1-sulfonamide
CID 167034381
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
4-tert-butyl-1-cyclopropylsulfonylpiperidine
CID 59732265
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
CID 23853542
1-tert-butylsulfonyl-4-chloropiperidine
CID 63689196
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonimidoyl)piperidin-4-ol?
The IUPAC name of 1-(tert-butylsulfonimidoyl)piperidin-4-ol (CID 164644450) is 1-(tert-butylsulfonimidoyl)piperidin-4-ol.
What is the SMILES notation for 1-(tert-butylsulfonimidoyl)piperidin-4-ol?
The canonical SMILES for 1-(tert-butylsulfonimidoyl)piperidin-4-ol is [H]N=S(=O)(N1CCC(O)CC1)C(C)(C)C.
What is the InChIKey of 1-(tert-butylsulfonimidoyl)piperidin-4-ol?
The InChIKey is ROPZBYMGOVKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,3)14(10,13)11-6-4-8(12)5-7-11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 1-(tert-butylsulfonimidoyl)piperidin-4-ol?
1-(tert-butylsulfonimidoyl)piperidin-4-ol has a molecular weight of 220.34 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonimidoyl)piperidin-4-ol is sourced from PubChem (CID 164644450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).