(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol

C11H14N2O5S — CID 93033901

IUPAC(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C11H14N2O5S/c14-10-2-1-7-12(8-10)19(17,18)11-5-3-9(4-6-11)13(15)16/h3-6,10,14H,1-2,7-8H2/t10-/m0/s1
InChIKeyVWYWIJDHTXTXLU-JTQLQIEISA-N
MW286.31 g/mol
LogP0.74
Rot. Bonds3

About (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol

(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol (PubChem CID 93033901) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
PubChem CID93033901
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C11H14N2O5S/c14-10-2-1-7-12(8-10)19(17,18)11-5-3-9(4-6-11)13(15)16/h3-6,10,14H,1-2,7-8H2/t10-/m0/s1
InChIKeyVWYWIJDHTXTXLU-JTQLQIEISA-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

(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
(3S)-1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-ol
CID 107225013
1-(2-nitrophenyl)sulfonylpiperidin-3-ol
CID 3785315
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
1-(4-methoxy-3-nitrophenyl)sulfonylpiperidin-3-ol
CID 43394251
[(2R)-2-methylpiperidin-1-yl]-[(3R)-1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 6550021
3-[[1-(4-nitrophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119351477
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol (CID 93033901) is (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol?
The InChIKey is VWYWIJDHTXTXLU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-10-2-1-7-12(8-10)19(17,18)11-5-3-9(4-6-11)13(15)16/h3-6,10,14H,1-2,7-8H2/t10-/m0/s1.
What are the key properties of (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol?
(3S)-1-(4-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 (3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 93033901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).