N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide

C11H19N3O4S — CID 156898203

IUPACN-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide
SMILESC[C@]1(C(=O)CNC(=O)CNN2CCS(=O)CC2)CO1
InChIInChI=1S/C11H19N3O4S/c1-11(8-18-11)9(15)6-12-10(16)7-13-14-2-4-19(17)5-3-14/h13H,2-8H2,1H3,(H,12,16)/t11-/m1/s1
InChIKeyRNCOCZLUOQGFHH-LLVKDONJSA-N
MW289.36 g/mol
LogP-1.97
Rot. Bonds6

About N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide

N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide (PubChem CID 156898203) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide
PubChem CID156898203
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide
SMILESC[C@]1(C(=O)CNC(=O)CNN2CCS(=O)CC2)CO1
InChIInChI=1S/C11H19N3O4S/c1-11(8-18-11)9(15)6-12-10(16)7-13-14-2-4-19(17)5-3-14/h13H,2-8H2,1H3,(H,12,16)/t11-/m1/s1
InChIKeyRNCOCZLUOQGFHH-LLVKDONJSA-N
XLogP-1.97
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide with MolForge

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Related Compounds

2-(hydroxyamino)-1-[(2R)-2-methyloxiran-2-yl]ethanone
CID 89202968
(2S)-2-[[2-[(1,1-dioxo-1,4-thiazinan-4-yl)amino]acetyl]amino]-N-[2-[[(2S)-1-[[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-phenylbutanamide
CID 156898178
N-methyl-2-(piperidin-1-ylamino)acetamide
CID 83013556
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 116654802
1-(piperidin-1-ylamino)propan-2-one
CID 68848210
N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide
CID 83021166
tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 157152097
N,N-dimethyl-2-(morpholin-4-ylamino)acetamide
CID 13366226
(2S,3S)-2-[[2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(3S)-3-hydroxy-1-[[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]amino]-1-oxobutan-2-yl]-3-methylpentanamide
CID 89028250
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
N-(3-methylbutan-2-yl)-2-(morpholin-4-ylamino)acetamide
CID 83021379
6-oxo-6-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hexanal
CID 88787972

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide?
The IUPAC name of N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide (CID 156898203) is N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide.
What is the SMILES notation for N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide?
The canonical SMILES for N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide is C[C@]1(C(=O)CNC(=O)CNN2CCS(=O)CC2)CO1.
What is the InChIKey of N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide?
The InChIKey is RNCOCZLUOQGFHH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-11(8-18-11)9(15)6-12-10(16)7-13-14-2-4-19(17)5-3-14/h13H,2-8H2,1H3,(H,12,16)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide?
N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide has a molecular weight of 289.36 g/mol, XLogP of -1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-methyloxiran-2-yl]-2-oxoethyl]-2-[(1-oxo-1,4-thiazinan-4-yl)amino]acetamide is sourced from PubChem (CID 156898203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).