(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C18H24N2O3S — CID 124882824

IUPAC(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCSC1(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CCC1
InChIInChI=1S/C18H24N2O3S/c1-20-14(21)11-23-16(15(20)13-7-4-3-5-8-13)17(22)19-12-18(24-2)9-6-10-18/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyLYGLLYDTGOSVRP-CVEARBPZSA-N
MW348.47 g/mol
LogP1.99
Rot. Bonds5

About (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 124882824) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID124882824
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCSC1(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CCC1
InChIInChI=1S/C18H24N2O3S/c1-20-14(21)11-23-16(15(20)13-7-4-3-5-8-13)17(22)19-12-18(24-2)9-6-10-18/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyLYGLLYDTGOSVRP-CVEARBPZSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 124882824) is (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is CSC1(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CCC1.
What is the InChIKey of (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is LYGLLYDTGOSVRP-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-20-14(21)11-23-16(15(20)13-7-4-3-5-8-13)17(22)19-12-18(24-2)9-6-10-18/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 124882824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).