1-methoxypropane-2-sulfonamide

C4H11NO3S — CID 54593170

IUPAC1-methoxypropane-2-sulfonamide
SMILESCOCC(C)S(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyHZVYKFOIYCUEGP-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.69
Rot. Bonds3

About 1-methoxypropane-2-sulfonamide

1-methoxypropane-2-sulfonamide (PubChem CID 54593170) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name1-methoxypropane-2-sulfonamide
PubChem CID54593170
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name1-methoxypropane-2-sulfonamide
SMILESCOCC(C)S(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyHZVYKFOIYCUEGP-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane-2-sulfonamide?
The IUPAC name of 1-methoxypropane-2-sulfonamide (CID 54593170) is 1-methoxypropane-2-sulfonamide.
What is the SMILES notation for 1-methoxypropane-2-sulfonamide?
The canonical SMILES for 1-methoxypropane-2-sulfonamide is COCC(C)S(N)(=O)=O.
What is the InChIKey of 1-methoxypropane-2-sulfonamide?
The InChIKey is HZVYKFOIYCUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of 1-methoxypropane-2-sulfonamide?
1-methoxypropane-2-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 54593170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).