4-(2-nitrophenyl)sulfanylmorpholine

C10H12N2O3S — CID 913240

IUPAC4-(2-nitrophenyl)sulfanylmorpholine
SMILESO=[N+]([O-])c1ccccc1SN1CCOCC1
InChIInChI=1S/C10H12N2O3S/c13-12(14)9-3-1-2-4-10(9)16-11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKeyOPGVYCMZBAGJPD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.93
Rot. Bonds3

About 4-(2-nitrophenyl)sulfanylmorpholine

4-(2-nitrophenyl)sulfanylmorpholine (PubChem CID 913240) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2-nitrophenyl)sulfanylmorpholine.

Molecular Properties

Compound Name4-(2-nitrophenyl)sulfanylmorpholine
PubChem CID913240
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name4-(2-nitrophenyl)sulfanylmorpholine
SMILESO=[N+]([O-])c1ccccc1SN1CCOCC1
InChIInChI=1S/C10H12N2O3S/c13-12(14)9-3-1-2-4-10(9)16-11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKeyOPGVYCMZBAGJPD-UHFFFAOYSA-N
XLogP1.93
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-Nitrophenyl)sulfonyl]morpholine
CID 236269
2-Morpholin-4-yl-5-nitrobenzenesulfonamide
CID 44586078
1-Ethyl-4-({2-nitrophenyl}sulfanyl)piperazine
CID 2307277
1-((2-Nitrophenyl)sulfonyl)piperidine
CID 796971
2-(Morpholine-4-sulfonyl)aniline
CID 1132819
N-[4-(4-morpholinylsulfonyl)phenyl]-2-nitrobenzenesulfonamide
CID 1724894
4-(2,4-Dinitrophenyl)sulfonylmorpholine
CID 23730314
4-(2-Nitrophenylsulfonyl)morpholine
CID 796972
4-(3-Nitrophenylsulfonyl)morpholine
CID 237475
4-(Hydroxy(oxido)amino)-N-(4-morpholinyl)benzenesulfonamide
CID 221324
Morpholin-4-yl-(4-nitrophenyl)-oxo-(trifluoromethylsulfanylimino)-lambda6-sulfane
CID 155546070
Benzenesulfenamide, N,N-dimethyl-2-nitro-
CID 824237

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)sulfanylmorpholine?
The IUPAC name of 4-(2-nitrophenyl)sulfanylmorpholine (CID 913240) is 4-(2-nitrophenyl)sulfanylmorpholine.
What is the SMILES notation for 4-(2-nitrophenyl)sulfanylmorpholine?
The canonical SMILES for 4-(2-nitrophenyl)sulfanylmorpholine is O=[N+]([O-])c1ccccc1SN1CCOCC1.
What is the InChIKey of 4-(2-nitrophenyl)sulfanylmorpholine?
The InChIKey is OPGVYCMZBAGJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-12(14)9-3-1-2-4-10(9)16-11-5-7-15-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-(2-nitrophenyl)sulfanylmorpholine?
4-(2-nitrophenyl)sulfanylmorpholine has a molecular weight of 240.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)sulfanylmorpholine is sourced from PubChem (CID 913240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).