2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C6H12N2O3S — CID 43581727

IUPAC2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESNCC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C6H12N2O3S/c7-5-6(9)8-1-3-12(10,11)4-2-8/h1-5,7H2
InChIKeyFDMLEPHUYDRDTN-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.80
Rot. Bonds1

About 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 43581727) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID43581727
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESNCC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C6H12N2O3S/c7-5-6(9)8-1-3-12(10,11)4-2-8/h1-5,7H2
InChIKeyFDMLEPHUYDRDTN-UHFFFAOYSA-N
XLogP-1.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 43581727) is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is NCC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is FDMLEPHUYDRDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c7-5-6(9)8-1-3-12(10,11)4-2-8/h1-5,7H2.
What are the key properties of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 192.24 g/mol, XLogP of -1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 43581727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).