N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide

C15H20FN3O5S — CID 7032477

IUPACN'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H20FN3O5S/c1-10-8-11(4-5-12(10)16)25(22,23)19-6-3-7-24-13(19)9-18-15(21)14(20)17-2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)/t13-/m1/s1
InChIKeyFCNQWEARCJRYKE-CYBMUJFWSA-N
MW373.41 g/mol
LogP-0.27
Rot. Bonds4

About N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide

N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide (PubChem CID 7032477) has the molecular formula C15H20FN3O5S and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide
PubChem CID7032477
Molecular FormulaC15H20FN3O5S
Molecular Weight373.41 g/mol
Exact Mass373.11
IUPAC NameN'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H20FN3O5S/c1-10-8-11(4-5-12(10)16)25(22,23)19-6-3-7-24-13(19)9-18-15(21)14(20)17-2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)/t13-/m1/s1
InChIKeyFCNQWEARCJRYKE-CYBMUJFWSA-N
XLogP-0.27
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-methoxyethyl)oxamide
CID 7207074
N-[[(2S)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 41131259
N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 18562597
N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 18562595
N'-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16825710
N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 41131230
N-[[(2R)-3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-propan-2-yloxamide
CID 7032451
N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3275625
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561582
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 18574556
N-butyl-N'-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7206991
N'-cyclopropyl-N-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7032440

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide?
The IUPAC name of N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide (CID 7032477) is N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide.
What is the SMILES notation for N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide?
The canonical SMILES for N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide is CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide?
The InChIKey is FCNQWEARCJRYKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN3O5S/c1-10-8-11(4-5-12(10)16)25(22,23)19-6-3-7-24-13(19)9-18-15(21)14(20)17-2/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)/t13-/m1/s1.
What are the key properties of N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide?
N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide has a molecular weight of 373.41 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-methyloxamide is sourced from PubChem (CID 7032477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).