5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine

C11H15N3O4S — CID 97177838

IUPAC5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCCNC2)nc1
InChIInChI=1S/C11H15N3O4S/c15-14(16)10-3-4-11(13-7-10)19(17,18)8-9-2-1-5-12-6-9/h3-4,7,9,12H,1-2,5-6,8H2/t9-/m1/s1
InChIKeyMTFAGFKVNRGGTF-SECBINFHSA-N
MW285.32 g/mol
LogP0.76
Rot. Bonds4

About 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine

5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine (PubChem CID 97177838) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
PubChem CID97177838
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCCNC2)nc1
InChIInChI=1S/C11H15N3O4S/c15-14(16)10-3-4-11(13-7-10)19(17,18)8-9-2-1-5-12-6-9/h3-4,7,9,12H,1-2,5-6,8H2/t9-/m1/s1
InChIKeyMTFAGFKVNRGGTF-SECBINFHSA-N
XLogP0.76
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.76
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

5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 71635724
5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride
CID 71638644
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]-1,3-benzothiazole
CID 97178062
6-nitro-2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]quinoxaline
CID 97178113
6-nitro-2-(pyrrolidin-3-ylmethylsulfonyl)quinoxaline
CID 71636216
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
CID 71635717
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
CID 97165990
6-nitro-2-[[(3S)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178149
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine?
The IUPAC name of 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine (CID 97177838) is 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine.
What is the SMILES notation for 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine?
The canonical SMILES for 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine is O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCCNC2)nc1.
What is the InChIKey of 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine?
The InChIKey is MTFAGFKVNRGGTF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-14(16)10-3-4-11(13-7-10)19(17,18)8-9-2-1-5-12-6-9/h3-4,7,9,12H,1-2,5-6,8H2/t9-/m1/s1.
What are the key properties of 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine?
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine has a molecular weight of 285.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine is sourced from PubChem (CID 97177838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).