N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide

C11H19N3O5S2 — CID 166506245

IUPACN-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1CCS(=O)(=O)CC1=O
InChIInChI=1S/C11H19N3O5S2/c1-12-9(15)6-20-7-10(16)13-2-3-14-4-5-21(18,19)8-11(14)17/h2-8H2,1H3,(H,12,15)(H,13,16)
InChIKeyYTLOVAXDKGNTED-UHFFFAOYSA-N
MW337.42 g/mol
LogP-2.16
Rot. Bonds7

About N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide

N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide (PubChem CID 166506245) has the molecular formula C11H19N3O5S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide
PubChem CID166506245
Molecular FormulaC11H19N3O5S2
Molecular Weight337.42 g/mol
Exact Mass337.08
IUPAC NameN-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1CCS(=O)(=O)CC1=O
InChIInChI=1S/C11H19N3O5S2/c1-12-9(15)6-20-7-10(16)13-2-3-14-4-5-21(18,19)8-11(14)17/h2-8H2,1H3,(H,12,15)(H,13,16)
InChIKeyYTLOVAXDKGNTED-UHFFFAOYSA-N
XLogP-2.16
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide (CID 166506245) is N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide is CNC(=O)CSCC(=O)NCCN1CCS(=O)(=O)CC1=O.
What is the InChIKey of N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide?
The InChIKey is YTLOVAXDKGNTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S2/c1-12-9(15)6-20-7-10(16)13-2-3-14-4-5-21(18,19)8-11(14)17/h2-8H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide?
N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide has a molecular weight of 337.42 g/mol, XLogP of -2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide is sourced from PubChem (CID 166506245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).