(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide

C13H20N2O3S — CID 95177243

IUPAC(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
SMILESC[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H20N2O3S/c1-11-10-18-13(12-7-5-4-6-8-12)9-15(11)19(16,17)14(2)3/h4-8,11,13H,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyVFHAIKPDAPLMNA-AAEUAGOBSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds3

About (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide

(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide (PubChem CID 95177243) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
PubChem CID95177243
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
SMILESC[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H20N2O3S/c1-11-10-18-13(12-7-5-4-6-8-12)9-15(11)19(16,17)14(2)3/h4-8,11,13H,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyVFHAIKPDAPLMNA-AAEUAGOBSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
N,N,2-trimethyl-5-phenyl-1,3-oxazolidine-3-sulfonamide
CID 110740572
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide?
The IUPAC name of (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide (CID 95177243) is (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide is C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)N(C)C.
What is the InChIKey of (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide?
The InChIKey is VFHAIKPDAPLMNA-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-10-18-13(12-7-5-4-6-8-12)9-15(11)19(16,17)14(2)3/h4-8,11,13H,9-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide?
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide is sourced from PubChem (CID 95177243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).