(3S)-3-(5-nitrothiophen-2-yl)morpholine

C8H10N2O3S — CID 130747257

IUPAC(3S)-3-(5-nitrothiophen-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc([C@@H]2COCCN2)s1
InChIInChI=1S/C8H10N2O3S/c11-10(12)8-2-1-7(14-8)6-5-13-4-3-9-6/h1-2,6,9H,3-5H2/t6-/m0/s1
InChIKeySKGODFYBQHQOCR-LURJTMIESA-N
MW214.25 g/mol
LogP1.32
Rot. Bonds2

About (3S)-3-(5-nitrothiophen-2-yl)morpholine

(3S)-3-(5-nitrothiophen-2-yl)morpholine (PubChem CID 130747257) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (3S)-3-(5-nitrothiophen-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(5-nitrothiophen-2-yl)morpholine
PubChem CID130747257
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(3S)-3-(5-nitrothiophen-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc([C@@H]2COCCN2)s1
InChIInChI=1S/C8H10N2O3S/c11-10(12)8-2-1-7(14-8)6-5-13-4-3-9-6/h1-2,6,9H,3-5H2/t6-/m0/s1
InChIKeySKGODFYBQHQOCR-LURJTMIESA-N
XLogP1.32
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.32
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'}

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Related Compounds

(3R)-3-(5-nitrothiophen-2-yl)morpholine
CID 130751942
(2S)-2-(5-nitrothiophen-2-yl)azetidine;hydrochloride
CID 171197068
3-(2-nitrophenyl)morpholine
CID 69296490
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
3-(2-fluoro-3-nitrophenyl)morpholine
CID 130041591
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
CID 171193204
3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol
CID 171259722
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
3-morpholin-3-yl-2-nitrobenzoic acid
CID 174727620

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-nitrothiophen-2-yl)morpholine?
The IUPAC name of (3S)-3-(5-nitrothiophen-2-yl)morpholine (CID 130747257) is (3S)-3-(5-nitrothiophen-2-yl)morpholine.
What is the SMILES notation for (3S)-3-(5-nitrothiophen-2-yl)morpholine?
The canonical SMILES for (3S)-3-(5-nitrothiophen-2-yl)morpholine is O=[N+]([O-])c1ccc([C@@H]2COCCN2)s1.
What is the InChIKey of (3S)-3-(5-nitrothiophen-2-yl)morpholine?
The InChIKey is SKGODFYBQHQOCR-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-10(12)8-2-1-7(14-8)6-5-13-4-3-9-6/h1-2,6,9H,3-5H2/t6-/m0/s1.
What are the key properties of (3S)-3-(5-nitrothiophen-2-yl)morpholine?
(3S)-3-(5-nitrothiophen-2-yl)morpholine has a molecular weight of 214.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-nitrothiophen-2-yl)morpholine is sourced from PubChem (CID 130747257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).