1-(2-nitrophenyl)sulfonylpiperidin-3-ol

C11H14N2O5S — CID 3785315

IUPAC1-(2-nitrophenyl)sulfonylpiperidin-3-ol
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H14N2O5S/c14-9-4-3-7-12(8-9)19(17,18)11-6-2-1-5-10(11)13(15)16/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyQMZUQCKBONGEKW-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.74
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonylpiperidin-3-ol

1-(2-nitrophenyl)sulfonylpiperidin-3-ol (PubChem CID 3785315) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonylpiperidin-3-ol
PubChem CID3785315
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name1-(2-nitrophenyl)sulfonylpiperidin-3-ol
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H14N2O5S/c14-9-4-3-7-12(8-9)19(17,18)11-6-2-1-5-10(11)13(15)16/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyQMZUQCKBONGEKW-UHFFFAOYSA-N
XLogP0.74
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 66291461
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
3-(4-fluorophenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 90608906
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
2-methyl-5-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]-4-phenyl-1,2,4-triazol-3-one
CID 121117644
tert-butyl (6R)-6-hydroxy-4-(2-nitrophenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 163246167
N-hexan-3-yl-1-(2-nitrophenyl)sulfonylpiperidine-3-carboxamide
CID 143174100
8-(2-nitrophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763356
4-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-3-ol
CID 103896782
1-(4-methoxy-3-nitrophenyl)sulfonylpiperidin-3-ol
CID 43394251
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(2-nitrophenyl)sulfonylpiperidin-3-ol (CID 3785315) is 1-(2-nitrophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(2-nitrophenyl)sulfonylpiperidin-3-ol is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(2-nitrophenyl)sulfonylpiperidin-3-ol?
The InChIKey is QMZUQCKBONGEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-9-4-3-7-12(8-9)19(17,18)11-6-2-1-5-10(11)13(15)16/h1-2,5-6,9,14H,3-4,7-8H2.
What are the key properties of 1-(2-nitrophenyl)sulfonylpiperidin-3-ol?
1-(2-nitrophenyl)sulfonylpiperidin-3-ol has a molecular weight of 286.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 3785315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).