(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide

C15H22N2O4S — CID 120934519

IUPAC(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-11-14(16-8-9-21-11)15(18)17(2)10-12-4-6-13(7-5-12)22(3,19)20/h4-7,11,14,16H,8-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyXANDVJXSVCYFOH-RISCZKNCSA-N
MW326.42 g/mol
LogP0.43
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide (PubChem CID 120934519) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
PubChem CID120934519
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-11-14(16-8-9-21-11)15(18)17(2)10-12-4-6-13(7-5-12)22(3,19)20/h4-7,11,14,16H,8-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyXANDVJXSVCYFOH-RISCZKNCSA-N
XLogP0.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120935535
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037
(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
CID 120940162
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide (CID 120934519) is (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is XANDVJXSVCYFOH-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-14(16-8-9-21-11)15(18)17(2)10-12-4-6-13(7-5-12)22(3,19)20/h4-7,11,14,16H,8-10H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120934519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).