2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one

C7H12N2O3S — CID 117029942

IUPAC2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one
SMILESO=C1CCCS(=O)(=O)N1C1CNC1
InChIInChI=1S/C7H12N2O3S/c10-7-2-1-3-13(11,12)9(7)6-4-8-5-6/h6,8H,1-5H2
InChIKeyMUJBRTFEMKSOOT-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.09
Rot. Bonds1

About 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one

2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one (PubChem CID 117029942) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one
PubChem CID117029942
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one
SMILESO=C1CCCS(=O)(=O)N1C1CNC1
InChIInChI=1S/C7H12N2O3S/c10-7-2-1-3-13(11,12)9(7)6-4-8-5-6/h6,8H,1-5H2
InChIKeyMUJBRTFEMKSOOT-UHFFFAOYSA-N
XLogP-1.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 69529489
N-(3-sulfamoylpropyl)azetidine-2-carboxamide
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N-cyclopropyl-3-piperazin-1-ylsulfonylpropanamide
CID 24253537
N-butyl-3-piperazin-1-ylsulfonylpropanamide
CID 24253543
N-butan-2-yl-3-piperazin-1-ylsulfonylpropanamide
CID 24253549
N-(2-piperazin-1-ylsulfonylethyl)butanamide
CID 24253796
2-amino-N-(2-sulfamoylethyl)butanamide
CID 43649629
N-(2-oxopiperidin-3-yl)ethanesulfonamide
CID 49457010
2-Amino-1-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 54872725
4-(Propan-2-ylamino)-1-(4-propylsulfonylpiperazin-1-yl)butan-1-one
CID 60963513
2-amino-N-(3-sulfamoylpropyl)butanamide
CID 61878456

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one?
The IUPAC name of 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one (CID 117029942) is 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one?
The canonical SMILES for 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one is O=C1CCCS(=O)(=O)N1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one?
The InChIKey is MUJBRTFEMKSOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c10-7-2-1-3-13(11,12)9(7)6-4-8-5-6/h6,8H,1-5H2.
What are the key properties of 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one?
2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one has a molecular weight of 204.25 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 117029942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).