4-(2-nitrophenyl)sulfonylthiomorpholine

C10H12N2O4S2 — CID 700248

IUPAC4-(2-nitrophenyl)sulfonylthiomorpholine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H12N2O4S2/c13-12(14)9-3-1-2-4-10(9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2
InChIKeyRQRSQGACLSPNHK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-nitrophenyl)sulfonylthiomorpholine

4-(2-nitrophenyl)sulfonylthiomorpholine (PubChem CID 700248) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-nitrophenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(2-nitrophenyl)sulfonylthiomorpholine
PubChem CID700248
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name4-(2-nitrophenyl)sulfonylthiomorpholine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H12N2O4S2/c13-12(14)9-3-1-2-4-10(9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2
InChIKeyRQRSQGACLSPNHK-UHFFFAOYSA-N
XLogP1.33
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.33
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'}

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Related Compounds

Bis(2-nitrophenyl)sulfone
CID 365388
1-Methyl-4-[(4-nitrophenyl)sulfonyl]piperazine
CID 796442
2-Methyl-1-(4-nitrophenylsulfonyl)piperidine
CID 2842827
1-(3-Nitrophenylsulfonyl)piperidine
CID 300664
2-Ethyl-1-[(4-nitrophenyl)sulfonyl]piperidine
CID 2787058
1-(2-Nitrophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 2930302
2-Ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine
CID 622835
1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine
CID 2842418
Benzenesulfonamide, N-cyclohexyl-N-methyl-2-nitro-
CID 116813
1-(2-Nitrobenzenesulfonyl)piperazine
CID 746514
(2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate
CID 394914
3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 3109782

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(2-nitrophenyl)sulfonylthiomorpholine (CID 700248) is 4-(2-nitrophenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(2-nitrophenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(2-nitrophenyl)sulfonylthiomorpholine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-(2-nitrophenyl)sulfonylthiomorpholine?
The InChIKey is RQRSQGACLSPNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c13-12(14)9-3-1-2-4-10(9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-(2-nitrophenyl)sulfonylthiomorpholine?
4-(2-nitrophenyl)sulfonylthiomorpholine has a molecular weight of 288.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)sulfonylthiomorpholine is sourced from PubChem (CID 700248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).