azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide

C9H20N4O5S2 — CID 159346014

IUPACazetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(C2COC2)C1.NS(=O)(=O)C1CNC1
InChIInChI=1S/C6H12N2O3S.C3H8N2O2S/c7-12(9,10)6-1-8(2-6)5-3-11-4-5;4-8(6,7)3-1-5-2-3/h5-6H,1-4H2,(H2,7,9,10);3,5H,1-2H2,(H2,4,6,7)
InChIKeyLGSUAGGCFSGNSK-UHFFFAOYSA-N
MW328.42 g/mol
LogP-3.40
Rot. Bonds3

About azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide

azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide (PubChem CID 159346014) has the molecular formula C9H20N4O5S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide.

Molecular Properties

Compound Nameazetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide
PubChem CID159346014
Molecular FormulaC9H20N4O5S2
Molecular Weight328.42 g/mol
Exact Mass328.09
IUPAC Nameazetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide
SMILESNS(=O)(=O)C1CN(C2COC2)C1.NS(=O)(=O)C1CNC1
InChIInChI=1S/C6H12N2O3S.C3H8N2O2S/c7-12(9,10)6-1-8(2-6)5-3-11-4-5;4-8(6,7)3-1-5-2-3/h5-6H,1-4H2,(H2,7,9,10);3,5H,1-2H2,(H2,4,6,7)
InChIKeyLGSUAGGCFSGNSK-UHFFFAOYSA-N
XLogP-3.40
TPSA144.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-3.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide?
The IUPAC name of azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide (CID 159346014) is azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide.
What is the SMILES notation for azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide?
The canonical SMILES for azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide is NS(=O)(=O)C1CN(C2COC2)C1.NS(=O)(=O)C1CNC1.
What is the InChIKey of azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide?
The InChIKey is LGSUAGGCFSGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S.C3H8N2O2S/c7-12(9,10)6-1-8(2-6)5-3-11-4-5;4-8(6,7)3-1-5-2-3/h5-6H,1-4H2,(H2,7,9,10);3,5H,1-2H2,(H2,4,6,7).
What are the key properties of azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide?
azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of -3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide is sourced from PubChem (CID 159346014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).