N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)

C5H10NO3SW+ — CID 22083951

IUPACN-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)
SMILESCCC([C-]=O)NS(C)(=O)=O.[W+2]
InChIInChI=1S/C5H10NO3S.W/c1-3-5(4-7)6-10(2,8)9;/h5-6H,3H2,1-2H3;/q-1;+2
InChIKeyIBOPRXFIWYJINZ-UHFFFAOYSA-N
MW348.05 g/mol
LogP-0.58
Rot. Bonds4

About N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)

N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+) (PubChem CID 22083951) has the molecular formula C5H10NO3SW+ and a molecular weight of 348.05 g/mol. Its IUPAC name is N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+).

Molecular Properties

Compound NameN-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)
PubChem CID22083951
Molecular FormulaC5H10NO3SW+
Molecular Weight348.05 g/mol
Exact Mass347.99
IUPAC NameN-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)
SMILESCCC([C-]=O)NS(C)(=O)=O.[W+2]
InChIInChI=1S/C5H10NO3S.W/c1-3-5(4-7)6-10(2,8)9;/h5-6H,3H2,1-2H3;/q-1;+2
InChIKeyIBOPRXFIWYJINZ-UHFFFAOYSA-N
XLogP-0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.05
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)?
The IUPAC name of N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+) (CID 22083951) is N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+).
What is the SMILES notation for N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)?
The canonical SMILES for N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+) is CCC([C-]=O)NS(C)(=O)=O.[W+2].
What is the InChIKey of N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)?
The InChIKey is IBOPRXFIWYJINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3S.W/c1-3-5(4-7)6-10(2,8)9;/h5-6H,3H2,1-2H3;/q-1;+2.
What are the key properties of N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+)?
N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+) has a molecular weight of 348.05 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxobutan-2-yl)methanesulfonamide;tungsten(2+) is sourced from PubChem (CID 22083951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).