(2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide

C14H20N2O2S — CID 120931748

IUPAC(2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide
SMILESCSc1ccc(N(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-13(15-8-9-18-10)14(17)16(2)11-4-6-12(19-3)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13+/m1/s1
InChIKeyDFZVDMXKEGVVHO-MFKMUULPSA-N
MW280.39 g/mol
LogP1.75
Rot. Bonds3

About (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide (PubChem CID 120931748) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide
PubChem CID120931748
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide
SMILESCSc1ccc(N(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C14H20N2O2S/c1-10-13(15-8-9-18-10)14(17)16(2)11-4-6-12(19-3)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13+/m1/s1
InChIKeyDFZVDMXKEGVVHO-MFKMUULPSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N,2-dimethyl-N-(1-methylpyrazol-4-yl)morpholine-3-carboxamide
CID 120942299
2-[methyl-(4-methylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165374
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120934675
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
(2R,3S)-2-methyl-N-[1-[2-(4-methylsulfanylanilino)-2-oxoethyl]pyrazol-4-yl]morpholine-3-carboxamide;hydrochloride
CID 120931510
(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920100
(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
(2R,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120940037

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide (CID 120931748) is (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide is CSc1ccc(N(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide?
The InChIKey is DFZVDMXKEGVVHO-MFKMUULPSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-13(15-8-9-18-10)14(17)16(2)11-4-6-12(19-3)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-(4-methylsulfanylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 120931748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).