N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

C17H26N4O6S2 — CID 30469611

IUPACN-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H26N4O6S2/c22-16(18-4-6-20-7-10-26-11-8-20)17(23)19-13-14-21(5-2-9-27-14)29(24,25)15-3-1-12-28-15/h1,3,12,14H,2,4-11,13H2,(H,18,22)(H,19,23)/t14-/m1/s1
InChIKeyHREVBCMVBHRMEL-CQSZACIVSA-N
MW446.55 g/mol
LogP-0.95
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 30469611) has the molecular formula C17H26N4O6S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID30469611
Molecular FormulaC17H26N4O6S2
Molecular Weight446.55 g/mol
Exact Mass446.13
IUPAC NameN-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H26N4O6S2/c22-16(18-4-6-20-7-10-26-11-8-20)17(23)19-13-14-21(5-2-9-27-14)29(24,25)15-3-1-12-28-15/h1,3,12,14H,2,4-11,13H2,(H,18,22)(H,19,23)/t14-/m1/s1
InChIKeyHREVBCMVBHRMEL-CQSZACIVSA-N
XLogP-0.95
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30484625
N-(3-methylbutyl)-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7197142
N-[2-(dimethylamino)ethyl]-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 40785400
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469598
N'-(pyridin-4-ylmethyl)-N-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092850
N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
CID 18561608
N'-(pyridin-2-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092845
N'-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30469604
N'-benzyl-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
CID 12006054
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 42428057
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 30484551
N'-(pyridin-4-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092815

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 30469611) is N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is O=C(NCCN1CCOCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is HREVBCMVBHRMEL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O6S2/c22-16(18-4-6-20-7-10-26-11-8-20)17(23)19-13-14-21(5-2-9-27-14)29(24,25)15-3-1-12-28-15/h1,3,12,14H,2,4-11,13H2,(H,18,22)(H,19,23)/t14-/m1/s1.
What are the key properties of N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 446.55 g/mol, XLogP of -0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N'-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 30469611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).