4-[(S)-(4-nitrophenyl)sulfinyl]morpholine

C10H12N2O4S — CID 11859168

IUPAC4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
SMILESO=[N+]([O-])c1ccc([S@](=O)N2CCOCC2)cc1
InChIInChI=1S/C10H12N2O4S/c13-12(14)9-1-3-10(4-2-9)17(15)11-5-7-16-8-6-11/h1-4H,5-8H2/t17-/m0/s1
InChIKeyZTIYMMCXOQLQED-KRWDZBQOSA-N
MW256.28 g/mol
LogP0.95
Rot. Bonds3

About 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine

4-[(S)-(4-nitrophenyl)sulfinyl]morpholine (PubChem CID 11859168) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
PubChem CID11859168
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
SMILESO=[N+]([O-])c1ccc([S@](=O)N2CCOCC2)cc1
InChIInChI=1S/C10H12N2O4S/c13-12(14)9-1-3-10(4-2-9)17(15)11-5-7-16-8-6-11/h1-4H,5-8H2/t17-/m0/s1
InChIKeyZTIYMMCXOQLQED-KRWDZBQOSA-N
XLogP0.95
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-nitrophenyl)selanylmorpholine
CID 23279168
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
CID 19779513
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
CID 82041960
zinc bis(4-nitrobenzenesulfinate)
CID 6098243
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
4-[1-(4-nitrophenyl)sulfonylpropan-2-yl]morpholine
CID 2928740
4-(4-nitrophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 23086776

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine?
The IUPAC name of 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine (CID 11859168) is 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine.
What is the SMILES notation for 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine?
The canonical SMILES for 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine is O=[N+]([O-])c1ccc([S@](=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine?
The InChIKey is ZTIYMMCXOQLQED-KRWDZBQOSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-12(14)9-1-3-10(4-2-9)17(15)11-5-7-16-8-6-11/h1-4H,5-8H2/t17-/m0/s1.
What are the key properties of 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine?
4-[(S)-(4-nitrophenyl)sulfinyl]morpholine has a molecular weight of 256.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(4-nitrophenyl)sulfinyl]morpholine is sourced from PubChem (CID 11859168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).