4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol

C11H15N3O5S — CID 81102850

IUPAC4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C11H15N3O5S/c1-11(15)4-6-13(7-5-11)20(18,19)9-2-3-10(12-8-9)14(16)17/h2-3,8,15H,4-7H2,1H3
InChIKeyJNRONGAJNVNEFI-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.53
Rot. Bonds3

About 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol

4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol (PubChem CID 81102850) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol
PubChem CID81102850
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C11H15N3O5S/c1-11(15)4-6-13(7-5-11)20(18,19)9-2-3-10(12-8-9)14(16)17/h2-3,8,15H,4-7H2,1H3
InChIKeyJNRONGAJNVNEFI-UHFFFAOYSA-N
XLogP0.53
TPSA113.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

tert-butyl 4-[(6-nitro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 167374586
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-3-ol
CID 103355759
3-ethyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-one
CID 114508567
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103357550
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-(2-hydrazinylpyrimidin-5-yl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103356611
[5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62932708
[1-[(6-nitro-3-pyridinyl)sulfonyl]azepan-2-yl]methanol
CID 116636739
4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
CID 107405201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol (CID 81102850) is 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1.
What is the InChIKey of 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol?
The InChIKey is JNRONGAJNVNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-11(15)4-6-13(7-5-11)20(18,19)9-2-3-10(12-8-9)14(16)17/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol?
4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol has a molecular weight of 301.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(6-nitro-3-pyridinyl)sulfonyl]piperidin-4-ol is sourced from PubChem (CID 81102850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).