(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine

C17H18N2O5S — CID 95220723

IUPAC(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
SMILESC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18N2O5S/c1-13-11-18(12-17(24-13)14-5-3-2-4-6-14)25(22,23)16-9-7-15(8-10-16)19(20)21/h2-10,13,17H,11-12H2,1H3/t13-,17+/m0/s1
InChIKeyUHSCZITXVCPKMP-SUMWQHHRSA-N
MW362.41 g/mol
LogP2.75
Rot. Bonds4

About (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine

(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine (PubChem CID 95220723) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
PubChem CID95220723
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
SMILESC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18N2O5S/c1-13-11-18(12-17(24-13)14-5-3-2-4-6-14)25(22,23)16-9-7-15(8-10-16)19(20)21/h2-10,13,17H,11-12H2,1H3/t13-,17+/m0/s1
InChIKeyUHSCZITXVCPKMP-SUMWQHHRSA-N
XLogP2.75
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.75
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

2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
CID 110369292
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
3-(2-methyl-6-phenylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 133274565
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenylaziridine
CID 11150856
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
CID 47958840
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine?
The IUPAC name of (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine (CID 95220723) is (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine.
What is the SMILES notation for (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine?
The canonical SMILES for (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine is C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine?
The InChIKey is UHSCZITXVCPKMP-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-13-11-18(12-17(24-13)14-5-3-2-4-6-14)25(22,23)16-9-7-15(8-10-16)19(20)21/h2-10,13,17H,11-12H2,1H3/t13-,17+/m0/s1.
What are the key properties of (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine?
(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine has a molecular weight of 362.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine is sourced from PubChem (CID 95220723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).