4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine

C17H19N3O3S — CID 133408465

IUPAC4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine
SMILESO=[N+]([O-])c1ccc(SCCN2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-20(22)15-6-7-16(18-17(15)14-4-2-1-3-5-14)24-13-10-19-8-11-23-12-9-19/h1-7H,8-13H2
InChIKeyMWMNHNVNSXDGBI-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.08
Rot. Bonds6

About 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine

4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine (PubChem CID 133408465) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine
PubChem CID133408465
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine
SMILESO=[N+]([O-])c1ccc(SCCN2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-20(22)15-6-7-16(18-17(15)14-4-2-1-3-5-14)24-13-10-19-8-11-23-12-9-19/h1-7H,8-13H2
InChIKeyMWMNHNVNSXDGBI-UHFFFAOYSA-N
XLogP3.08
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
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

4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
CID 22695472
4-[2-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]sulfanylethyl]morpholine
CID 133408471
2-(2-morpholin-4-ylethylsulfanyl)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133408519
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133407191
6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-2-phenylpyridine
CID 133408311
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403496
4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
CID 154445792
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine (CID 133408465) is 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine is O=[N+]([O-])c1ccc(SCCN2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine?
The InChIKey is MWMNHNVNSXDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-20(22)15-6-7-16(18-17(15)14-4-2-1-3-5-14)24-13-10-19-8-11-23-12-9-19/h1-7H,8-13H2.
What are the key properties of 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine?
4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine has a molecular weight of 345.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-nitro-6-phenyl-2-pyridinyl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 133408465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).