2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

C7H14N2O3S — CID 43581737

IUPAC2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC(N)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5,8H2,1H3
InChIKeyGEYMYRRKAWOGSJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.41
Rot. Bonds1

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

2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 43581737) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID43581737
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC(N)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5,8H2,1H3
InChIKeyGEYMYRRKAWOGSJ-UHFFFAOYSA-N
XLogP-1.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.41
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)propan-1-one?
The IUPAC name of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (CID 43581737) is 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is CC(N)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is GEYMYRRKAWOGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-6(8)7(10)9-2-4-13(11,12)5-3-9/h6H,2-5,8H2,1H3.
What are the key properties of 2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 206.27 g/mol, XLogP of -1.41, 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)propan-1-one is sourced from PubChem (CID 43581737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).