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

C16H21N3O5S — CID 7066730

IUPACN'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H21N3O5S/c1-2-9-17-15(20)16(21)18-12-14-19(10-6-11-24-14)25(22,23)13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyTUIKFCGHAGMUKR-AWEZNQCLSA-N
MW367.43 g/mol
LogP-0.16
Rot. Bonds6

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

N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide (PubChem CID 7066730) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
PubChem CID7066730
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H21N3O5S/c1-2-9-17-15(20)16(21)18-12-14-19(10-6-11-24-14)25(22,23)13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyTUIKFCGHAGMUKR-AWEZNQCLSA-N
XLogP-0.16
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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'-cyclohexyloxamide
CID 7032144
N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 7032148
N'-[[3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
CID 18562557
N'-[[(2S)-3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide
CID 7207011
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
N'-[[3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-phenylpropyl)oxamide
CID 18562588
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'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide (CID 7066730) is N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide?
The InChIKey is TUIKFCGHAGMUKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-2-9-17-15(20)16(21)18-12-14-19(10-6-11-24-14)25(22,23)13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,17,20)(H,18,21)/t14-/m0/s1.
What are the key properties of N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide?
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-prop-2-enyloxamide has a molecular weight of 367.43 g/mol, XLogP of -0.16, 6 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-prop-2-enyloxamide is sourced from PubChem (CID 7066730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).