3-(methoxymethyl)azetidine-1-sulfonamide

C5H12N2O3S — CID 167526411

IUPAC3-(methoxymethyl)azetidine-1-sulfonamide
SMILESCOCC1CN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O3S/c1-10-4-5-2-7(3-5)11(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyBSAZNIJYMKXKBY-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.23
Rot. Bonds3

About 3-(methoxymethyl)azetidine-1-sulfonamide

3-(methoxymethyl)azetidine-1-sulfonamide (PubChem CID 167526411) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(methoxymethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)azetidine-1-sulfonamide
PubChem CID167526411
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-(methoxymethyl)azetidine-1-sulfonamide
SMILESCOCC1CN(S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O3S/c1-10-4-5-2-7(3-5)11(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9)
InChIKeyBSAZNIJYMKXKBY-UHFFFAOYSA-N
XLogP-1.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)azetidine-1-sulfonamide?
The IUPAC name of 3-(methoxymethyl)azetidine-1-sulfonamide (CID 167526411) is 3-(methoxymethyl)azetidine-1-sulfonamide.
What is the SMILES notation for 3-(methoxymethyl)azetidine-1-sulfonamide?
The canonical SMILES for 3-(methoxymethyl)azetidine-1-sulfonamide is COCC1CN(S(N)(=O)=O)C1.
What is the InChIKey of 3-(methoxymethyl)azetidine-1-sulfonamide?
The InChIKey is BSAZNIJYMKXKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-10-4-5-2-7(3-5)11(6,8)9/h5H,2-4H2,1H3,(H2,6,8,9).
What are the key properties of 3-(methoxymethyl)azetidine-1-sulfonamide?
3-(methoxymethyl)azetidine-1-sulfonamide has a molecular weight of 180.23 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 167526411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).