[(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid

C8H13N5O7S — CID 54200940

IUPAC[(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
SMILESCNC(=O)N(C)S(=O)(=O)NC(=O)N1C[C@H](NC(=O)O)C1=O
InChIInChI=1S/C8H13N5O7S/c1-9-6(15)12(2)21(19,20)11-7(16)13-3-4(5(13)14)10-8(17)18/h4,10H,3H2,1-2H3,(H,9,15)(H,11,16)(H,17,18)/t4-/m0/s1
InChIKeyPPENZMIXBQCHFG-BYPYZUCNSA-N
MW323.29 g/mol
LogP-2.31
Rot. Bonds3

About [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid

[(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 54200940) has the molecular formula C8H13N5O7S and a molecular weight of 323.29 g/mol. Its IUPAC name is [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
PubChem CID54200940
Molecular FormulaC8H13N5O7S
Molecular Weight323.29 g/mol
Exact Mass323.05
IUPAC Name[(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
SMILESCNC(=O)N(C)S(=O)(=O)NC(=O)N1C[C@H](NC(=O)O)C1=O
InChIInChI=1S/C8H13N5O7S/c1-9-6(15)12(2)21(19,20)11-7(16)13-3-4(5(13)14)10-8(17)18/h4,10H,3H2,1-2H3,(H,9,15)(H,11,16)(H,17,18)/t4-/m0/s1
InChIKeyPPENZMIXBQCHFG-BYPYZUCNSA-N
XLogP-2.31
TPSA165.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid (CID 54200940) is [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid is CNC(=O)N(C)S(=O)(=O)NC(=O)N1C[C@H](NC(=O)O)C1=O.
What is the InChIKey of [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is PPENZMIXBQCHFG-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H13N5O7S/c1-9-6(15)12(2)21(19,20)11-7(16)13-3-4(5(13)14)10-8(17)18/h4,10H,3H2,1-2H3,(H,9,15)(H,11,16)(H,17,18)/t4-/m0/s1.
What are the key properties of [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
[(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 323.29 g/mol, XLogP of -2.31, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 54200940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).