3-nitro-2-piperidin-3-ylsulfonylpyridine

C10H13N3O4S — CID 71635609

IUPAC3-nitro-2-piperidin-3-ylsulfonylpyridine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)C1CCCNC1
InChIInChI=1S/C10H13N3O4S/c14-13(15)9-4-2-6-12-10(9)18(16,17)8-3-1-5-11-7-8/h2,4,6,8,11H,1,3,5,7H2
InChIKeyGTQXFZVNMGEDKF-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.52
Rot. Bonds3

About 3-nitro-2-piperidin-3-ylsulfonylpyridine

3-nitro-2-piperidin-3-ylsulfonylpyridine (PubChem CID 71635609) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-nitro-2-piperidin-3-ylsulfonylpyridine.

Molecular Properties

Compound Name3-nitro-2-piperidin-3-ylsulfonylpyridine
PubChem CID71635609
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name3-nitro-2-piperidin-3-ylsulfonylpyridine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)C1CCCNC1
InChIInChI=1S/C10H13N3O4S/c14-13(15)9-4-2-6-12-10(9)18(16,17)8-3-1-5-11-7-8/h2,4,6,8,11H,1,3,5,7H2
InChIKeyGTQXFZVNMGEDKF-UHFFFAOYSA-N
XLogP0.52
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.52
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

3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71635607
3-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
2-cyclopropylsulfonyl-3-nitropyridine
CID 153380489
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
N-cyclopropyl-3-nitropyridine-2-sulfonamide
CID 71650427
3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
CID 71635674
3-nitro-2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97177798
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
CID 71635629
(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 97166524

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-piperidin-3-ylsulfonylpyridine?
The IUPAC name of 3-nitro-2-piperidin-3-ylsulfonylpyridine (CID 71635609) is 3-nitro-2-piperidin-3-ylsulfonylpyridine.
What is the SMILES notation for 3-nitro-2-piperidin-3-ylsulfonylpyridine?
The canonical SMILES for 3-nitro-2-piperidin-3-ylsulfonylpyridine is O=[N+]([O-])c1cccnc1S(=O)(=O)C1CCCNC1.
What is the InChIKey of 3-nitro-2-piperidin-3-ylsulfonylpyridine?
The InChIKey is GTQXFZVNMGEDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-13(15)9-4-2-6-12-10(9)18(16,17)8-3-1-5-11-7-8/h2,4,6,8,11H,1,3,5,7H2.
What are the key properties of 3-nitro-2-piperidin-3-ylsulfonylpyridine?
3-nitro-2-piperidin-3-ylsulfonylpyridine has a molecular weight of 271.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-piperidin-3-ylsulfonylpyridine is sourced from PubChem (CID 71635609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).