2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine

C12H16N2O5S — CID 51294925

IUPAC2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC(C)C1
InChIInChI=1S/C12H16N2O5S/c1-9-3-4-11(14(15)16)7-12(9)20(17,18)13-5-6-19-10(2)8-13/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyIZSHCAKSVCSVPT-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine

2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine (PubChem CID 51294925) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
PubChem CID51294925
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC(C)C1
InChIInChI=1S/C12H16N2O5S/c1-9-3-4-11(14(15)16)7-12(9)20(17,18)13-5-6-19-10(2)8-13/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyIZSHCAKSVCSVPT-UHFFFAOYSA-N
XLogP1.31
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.31
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

4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine
CID 43394184
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206
N-methyl-2-(2-methylmorpholin-4-yl)sulfonyl-5-nitroaniline
CID 62150394
[2-(2-methylmorpholin-4-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142206
(3S)-3-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 104976463
4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
CID 43348538
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714788
1-[1-(2-methyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 103976011
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
1-(2-methyl-5-nitrophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585251
1-(3,4-dimethylphenyl)sulfonyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 46556421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine (CID 51294925) is 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC(C)C1.
What is the InChIKey of 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
The InChIKey is IZSHCAKSVCSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-9-3-4-11(14(15)16)7-12(9)20(17,18)13-5-6-19-10(2)8-13/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine?
2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine has a molecular weight of 300.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 51294925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).