(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide

C13H18N2O4S — CID 95839416

IUPAC(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCO[C@](C)(C(N)=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-3-5-11(6-4-10)20(17,18)15-7-8-19-13(2,9-15)12(14)16/h3-6H,7-9H2,1-2H3,(H2,14,16)/t13-/m0/s1
InChIKeyXMGNXOMLWOMLEY-ZDUSSCGKSA-N
MW298.36 g/mol
LogP0.26
Rot. Bonds3

About (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide

(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide (PubChem CID 95839416) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
PubChem CID95839416
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCO[C@](C)(C(N)=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-3-5-11(6-4-10)20(17,18)15-7-8-19-13(2,9-15)12(14)16/h3-6H,7-9H2,1-2H3,(H2,14,16)/t13-/m0/s1
InChIKeyXMGNXOMLWOMLEY-ZDUSSCGKSA-N
XLogP0.26
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
CID 95839418
4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
CID 118739873
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(diethylsulfamoyl)-2-methylmorpholine-2-carboxamide
CID 73439299
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
CID 110253727
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide (CID 95839416) is (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCO[C@](C)(C(N)=O)C2)cc1.
What is the InChIKey of (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
The InChIKey is XMGNXOMLWOMLEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-3-5-11(6-4-10)20(17,18)15-7-8-19-13(2,9-15)12(14)16/h3-6H,7-9H2,1-2H3,(H2,14,16)/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 95839416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).