(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine

C15H17N3O3S — CID 99107655

IUPAC(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
SMILESCc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3S/c1-10-5-15(16-6-13(10)18(19)20)17-7-11(2)21-14(8-17)12-3-4-22-9-12/h3-6,9,11,14H,7-8H2,1-2H3/t11-,14+/m0/s1
InChIKeyCTWPYLBRQZVUNM-SMDDNHRTSA-N
MW319.39 g/mol
LogP3.33
Rot. Bonds3

About (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine

(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine (PubChem CID 99107655) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
PubChem CID99107655
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
SMILESCc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3S/c1-10-5-15(16-6-13(10)18(19)20)17-7-11(2)21-14(8-17)12-3-4-22-9-12/h3-6,9,11,14H,7-8H2,1-2H3/t11-,14+/m0/s1
InChIKeyCTWPYLBRQZVUNM-SMDDNHRTSA-N
XLogP3.33
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.33
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

2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379222
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133490501
4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379345
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
CID 99778550
2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine
CID 154966522
(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 99716093
(3-hydroxy-4-nitrophenyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 102553076
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133343722
2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 79175970

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine?
The IUPAC name of (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine (CID 99107655) is (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine.
What is the SMILES notation for (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine?
The canonical SMILES for (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine is Cc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine?
The InChIKey is CTWPYLBRQZVUNM-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-5-15(16-6-13(10)18(19)20)17-7-11(2)21-14(8-17)12-3-4-22-9-12/h3-6,9,11,14H,7-8H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine?
(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine has a molecular weight of 319.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 99107655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).