(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

C14H19FN2O4S — CID 124977452

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccc(F)cc2)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C14H19FN2O4S/c1-14(10-17(7-8-21-14)22(2,19)20)13(18)16-9-11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeyLMHSTGXXCABUJG-AWEZNQCLSA-N
MW330.38 g/mol
LogP0.49
Rot. Bonds4

About (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (PubChem CID 124977452) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
PubChem CID124977452
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccc(F)cc2)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C14H19FN2O4S/c1-14(10-17(7-8-21-14)22(2,19)20)13(18)16-9-11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeyLMHSTGXXCABUJG-AWEZNQCLSA-N
XLogP0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 110094614
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125024983
(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124940760
(2R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023248
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023247
(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124982869
N-[(3-fluorophenyl)methyl]-3-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 53117562
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 127247774
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
(3R)-1-(4-acetylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088314

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (CID 124977452) is (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is C[C@@]1(C(=O)NCc2ccc(F)cc2)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The InChIKey is LMHSTGXXCABUJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-14(10-17(7-8-21-14)22(2,19)20)13(18)16-9-11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 124977452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).