propan-2-yloxymethanesulfonamide

C4H11NO3S — CID 79576314

IUPACpropan-2-yloxymethanesulfonamide
SMILESCC(C)OCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(2)8-3-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyXGLCUZXVULMQNB-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.34
Rot. Bonds3

About propan-2-yloxymethanesulfonamide

propan-2-yloxymethanesulfonamide (PubChem CID 79576314) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is propan-2-yloxymethanesulfonamide.

Molecular Properties

Compound Namepropan-2-yloxymethanesulfonamide
PubChem CID79576314
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Namepropan-2-yloxymethanesulfonamide
SMILESCC(C)OCS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(2)8-3-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyXGLCUZXVULMQNB-UHFFFAOYSA-N
XLogP-0.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yloxymethanesulfonamide?
The IUPAC name of propan-2-yloxymethanesulfonamide (CID 79576314) is propan-2-yloxymethanesulfonamide.
What is the SMILES notation for propan-2-yloxymethanesulfonamide?
The canonical SMILES for propan-2-yloxymethanesulfonamide is CC(C)OCS(N)(=O)=O.
What is the InChIKey of propan-2-yloxymethanesulfonamide?
The InChIKey is XGLCUZXVULMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(2)8-3-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of propan-2-yloxymethanesulfonamide?
propan-2-yloxymethanesulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxymethanesulfonamide is sourced from PubChem (CID 79576314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).