N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide

C19H27N3O5S — CID 7032144

IUPACN-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide
SMILESO=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O5S/c23-18(19(24)21-15-8-3-1-4-9-15)20-14-17-22(12-7-13-27-17)28(25,26)16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14H2,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyJPSMUOPVHBJSHG-KRWDZBQOSA-N
MW409.51 g/mol
LogP0.99
Rot. Bonds5

About N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide

N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide (PubChem CID 7032144) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide.

Molecular Properties

Compound NameN-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide
PubChem CID7032144
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide
SMILESO=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O5S/c23-18(19(24)21-15-8-3-1-4-9-15)20-14-17-22(12-7-13-27-17)28(25,26)16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14H2,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyJPSMUOPVHBJSHG-KRWDZBQOSA-N
XLogP0.99
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.99
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'-cyclopentyl-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561570
N'-cyclopropyl-N-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7032440
N'-cyclopentyl-N-[[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazinan-2-yl]methyl]oxamide
CID 42427999
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 18562457
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
CID 7066730
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
CID 18574773
N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 7032148
N'-benzyl-N-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18562508
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 41130441
N'-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-phenylethyl)oxamide
CID 42427977
N-ethyl-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 3275625
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide?
The IUPAC name of N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide (CID 7032144) is N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide.
What is the SMILES notation for N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide?
The canonical SMILES for N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide is O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide?
The InChIKey is JPSMUOPVHBJSHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O5S/c23-18(19(24)21-15-8-3-1-4-9-15)20-14-17-22(12-7-13-27-17)28(25,26)16-10-5-2-6-11-16/h2,5-6,10-11,15,17H,1,3-4,7-9,12-14H2,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide?
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide has a molecular weight of 409.51 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide is sourced from PubChem (CID 7032144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).