5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine

C10H13N3O3S — CID 97177866

IUPAC5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
SMILESO=[N+]([O-])c1ccc([S@@](=O)C[C@H]2CCCN2)nc1
InChIInChI=1S/C10H13N3O3S/c14-13(15)9-3-4-10(12-6-9)17(16)7-8-2-1-5-11-8/h3-4,6,8,11H,1-2,5,7H2/t8-,17+/m1/s1
InChIKeyXRHKXAKSSFHSED-RBHXEPJQSA-N
MW255.30 g/mol
LogP0.85
Rot. Bonds4

About 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine

5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine (PubChem CID 97177866) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
PubChem CID97177866
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
SMILESO=[N+]([O-])c1ccc([S@@](=O)C[C@H]2CCCN2)nc1
InChIInChI=1S/C10H13N3O3S/c14-13(15)9-3-4-10(12-6-9)17(16)7-8-2-1-5-11-8/h3-4,6,8,11H,1-2,5,7H2/t8-,17+/m1/s1
InChIKeyXRHKXAKSSFHSED-RBHXEPJQSA-N
XLogP0.85
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.85
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'}

Analyze 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-nitro-2-[(R)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]quinoxaline
CID 97178131
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
5-nitro-2-[(R)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97178081
5-nitro-2-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55274091
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411
tert-butyl (3S)-3-[[(R)-(5-nitro-2-pyridinyl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97172558
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine?
The IUPAC name of 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine (CID 97177866) is 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine.
What is the SMILES notation for 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine?
The canonical SMILES for 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine is O=[N+]([O-])c1ccc([S@@](=O)C[C@H]2CCCN2)nc1.
What is the InChIKey of 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine?
The InChIKey is XRHKXAKSSFHSED-RBHXEPJQSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-13(15)9-3-4-10(12-6-9)17(16)7-8-2-1-5-11-8/h3-4,6,8,11H,1-2,5,7H2/t8-,17+/m1/s1.
What are the key properties of 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine?
5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine has a molecular weight of 255.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine is sourced from PubChem (CID 97177866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).