(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide

C14H20N2O4S — CID 95839418

IUPAC(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-11-4-6-12(7-5-11)21(18,19)16-8-9-20-14(2,10-16)13(17)15-3/h4-7H,8-10H2,1-3H3,(H,15,17)/t14-/m0/s1
InChIKeyDIPUALLPJHBHMD-AWEZNQCLSA-N
MW312.39 g/mol
LogP0.52
Rot. Bonds3

About (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide

(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide (PubChem CID 95839418) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
PubChem CID95839418
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-11-4-6-12(7-5-11)21(18,19)16-8-9-20-14(2,10-16)13(17)15-3/h4-7H,8-10H2,1-3H3,(H,15,17)/t14-/m0/s1
InChIKeyDIPUALLPJHBHMD-AWEZNQCLSA-N
XLogP0.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide (CID 95839418) is (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(S(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
The InChIKey is DIPUALLPJHBHMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-4-6-12(7-5-11)21(18,19)16-8-9-20-14(2,10-16)13(17)15-3/h4-7H,8-10H2,1-3H3,(H,15,17)/t14-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide?
(2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 95839418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).