(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide

C16H24N2O4S — CID 124948384

IUPAC(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(C)CN(Cc2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C16H24N2O4S/c1-16(15(19)17(2)3)12-18(9-10-22-16)11-13-5-7-14(8-6-13)23(4,20)21/h5-8H,9-12H2,1-4H3/t16-/m1/s1
InChIKeyCMNRXOZTABPOQC-MRXNPFEDSA-N
MW340.45 g/mol
LogP0.77
Rot. Bonds4

About (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide

(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 124948384) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
PubChem CID124948384
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(C)CN(Cc2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C16H24N2O4S/c1-16(15(19)17(2)3)12-18(9-10-22-16)11-13-5-7-14(8-6-13)23(4,20)21/h5-8H,9-12H2,1-4H3/t16-/m1/s1
InChIKeyCMNRXOZTABPOQC-MRXNPFEDSA-N
XLogP0.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124961584
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 110097035
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
2-methyl-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679057

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide (CID 124948384) is (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide is CN(C)C(=O)[C@@]1(C)CN(Cc2ccc(S(C)(=O)=O)cc2)CCO1.
What is the InChIKey of (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is CMNRXOZTABPOQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(15(19)17(2)3)12-18(9-10-22-16)11-13-5-7-14(8-6-13)23(4,20)21/h5-8H,9-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 124948384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).