(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one

C7H14N4O3S — CID 167344211

IUPAC(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N[C@@H]1CN1CCCNS1(=O)=O
InChIInChI=1S/C7H14N4O3S/c8-6-5(10-7(6)12)4-11-3-1-2-9-15(11,13)14/h5-6,9H,1-4,8H2,(H,10,12)/t5-,6+/m1/s1
InChIKeyWDADTEDXEODCIG-RITPCOANSA-N
MW234.28 g/mol
LogP-2.65
Rot. Bonds2

About (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one

(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one (PubChem CID 167344211) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one
PubChem CID167344211
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N[C@@H]1CN1CCCNS1(=O)=O
InChIInChI=1S/C7H14N4O3S/c8-6-5(10-7(6)12)4-11-3-1-2-9-15(11,13)14/h5-6,9H,1-4,8H2,(H,10,12)/t5-,6+/m1/s1
InChIKeyWDADTEDXEODCIG-RITPCOANSA-N
XLogP-2.65
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one (CID 167344211) is (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one is N[C@@H]1C(=O)N[C@@H]1CN1CCCNS1(=O)=O.
What is the InChIKey of (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one?
The InChIKey is WDADTEDXEODCIG-RITPCOANSA-N. The full InChI is InChI=1S/C7H14N4O3S/c8-6-5(10-7(6)12)4-11-3-1-2-9-15(11,13)14/h5-6,9H,1-4,8H2,(H,10,12)/t5-,6+/m1/s1.
What are the key properties of (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one?
(3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one has a molecular weight of 234.28 g/mol, XLogP of -2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-[(1,1-dioxo-1,2,6-thiadiazinan-2-yl)methyl]azetidin-2-one is sourced from PubChem (CID 167344211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).