4-(4-chloro-2-nitrophenyl)thiomorpholine

C10H11ClN2O2S — CID 2798454

IUPAC4-(4-chloro-2-nitrophenyl)thiomorpholine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCSCC1
InChIInChI=1S/C10H11ClN2O2S/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyRURAXSKRCOSOKR-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.80
Rot. Bonds2

About 4-(4-chloro-2-nitrophenyl)thiomorpholine

4-(4-chloro-2-nitrophenyl)thiomorpholine (PubChem CID 2798454) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenyl)thiomorpholine.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenyl)thiomorpholine
PubChem CID2798454
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name4-(4-chloro-2-nitrophenyl)thiomorpholine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCSCC1
InChIInChI=1S/C10H11ClN2O2S/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyRURAXSKRCOSOKR-UHFFFAOYSA-N
XLogP2.80
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.80
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

1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
1,4-bis(4-chloro-2-nitrophenyl)-1,4-diazepane
CID 3094079
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
3-nitro-4-thiomorpholin-4-ylaniline
CID 163212223
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
4-(2,4-dinitro-5-thiomorpholin-4-ylphenyl)thiomorpholine
CID 3114929
4-[2-nitro-4-(trifluoromethyl)phenyl]thiomorpholine
CID 2732236
1-(4-chloro-2-nitrophenyl)-1,4-diazepan-4-ium
CID 5055951
1-(4-chloro-2-nitrophenyl)-4-ethylpiperazine
CID 50879402
1-(4-chloro-2-nitrophenyl)-4-methyl-1,4-diazepane
CID 162442759
1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylic acid
CID 19624576
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenyl)thiomorpholine?
The IUPAC name of 4-(4-chloro-2-nitrophenyl)thiomorpholine (CID 2798454) is 4-(4-chloro-2-nitrophenyl)thiomorpholine.
What is the SMILES notation for 4-(4-chloro-2-nitrophenyl)thiomorpholine?
The canonical SMILES for 4-(4-chloro-2-nitrophenyl)thiomorpholine is O=[N+]([O-])c1cc(Cl)ccc1N1CCSCC1.
What is the InChIKey of 4-(4-chloro-2-nitrophenyl)thiomorpholine?
The InChIKey is RURAXSKRCOSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(4-chloro-2-nitrophenyl)thiomorpholine?
4-(4-chloro-2-nitrophenyl)thiomorpholine has a molecular weight of 258.73 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenyl)thiomorpholine is sourced from PubChem (CID 2798454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).