methanesulfonamide;propan-2-one

C4H11NO3S — CID 158339378

IUPACmethanesulfonamide;propan-2-one
SMILESCC(C)=O.CS(N)(=O)=O
InChIInChI=1S/C3H6O.CH5NO2S/c1-3(2)4;1-5(2,3)4/h1-2H3;1H3,(H2,2,3,4)
InChIKeyGQYVRMFLCQVWOK-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.50
Rot. Bonds

About methanesulfonamide;propan-2-one

methanesulfonamide;propan-2-one (PubChem CID 158339378) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is methanesulfonamide;propan-2-one.

Molecular Properties

Compound Namemethanesulfonamide;propan-2-one
PubChem CID158339378
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Namemethanesulfonamide;propan-2-one
SMILESCC(C)=O.CS(N)(=O)=O
InChIInChI=1S/C3H6O.CH5NO2S/c1-3(2)4;1-5(2,3)4/h1-2H3;1H3,(H2,2,3,4)
InChIKeyGQYVRMFLCQVWOK-UHFFFAOYSA-N
XLogP-0.50
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methanesulfonamide;propan-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

Related Compounds

methane;methylsulfonylmethane;propan-2-one
CID 169426360
methanesulfonamide;dihydrochloride
CID 23102685
CID 160957536
CID 160957536
silver bis(propan-2-one)
CID 71340648
methanesulfonamide;propane
CID 158760342
acetamide;methanesulfonyl chloride
CID 158311793
hydrazine;propan-2-one;dihydrate
CID 18407837
1-methylsulfonylethanone;phosphane
CID 175070717
butane-2,3-dione;methylsulfonylsulfonylmethane
CID 158437729
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539

Frequently Asked Questions

What is the IUPAC name of methanesulfonamide;propan-2-one?
The IUPAC name of methanesulfonamide;propan-2-one (CID 158339378) is methanesulfonamide;propan-2-one.
What is the SMILES notation for methanesulfonamide;propan-2-one?
The canonical SMILES for methanesulfonamide;propan-2-one is CC(C)=O.CS(N)(=O)=O.
What is the InChIKey of methanesulfonamide;propan-2-one?
The InChIKey is GQYVRMFLCQVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH5NO2S/c1-3(2)4;1-5(2,3)4/h1-2H3;1H3,(H2,2,3,4).
What are the key properties of methanesulfonamide;propan-2-one?
methanesulfonamide;propan-2-one has a molecular weight of 153.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamide;propan-2-one is sourced from PubChem (CID 158339378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).