azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride

C10H23ClN4O5S2 — CID 160516410

IUPACazetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CN(CC2COC2)C1.NS(=O)(=O)C1CNC1
InChIInChI=1S/C7H14N2O3S.C3H8N2O2S.ClH/c8-13(10,11)7-2-9(3-7)1-6-4-12-5-6;4-8(6,7)3-1-5-2-3;/h6-7H,1-5H2,(H2,8,10,11);3,5H,1-2H2,(H2,4,6,7);1H
InChIKeyXKDAEBUZDCSSRH-UHFFFAOYSA-N
MW378.90 g/mol
LogP-2.73
Rot. Bonds4

About azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride

azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride (PubChem CID 160516410) has the molecular formula C10H23ClN4O5S2 and a molecular weight of 378.90 g/mol. Its IUPAC name is azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Nameazetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride
PubChem CID160516410
Molecular FormulaC10H23ClN4O5S2
Molecular Weight378.90 g/mol
Exact Mass378.08
IUPAC Nameazetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CN(CC2COC2)C1.NS(=O)(=O)C1CNC1
InChIInChI=1S/C7H14N2O3S.C3H8N2O2S.ClH/c8-13(10,11)7-2-9(3-7)1-6-4-12-5-6;4-8(6,7)3-1-5-2-3;/h6-7H,1-5H2,(H2,8,10,11);3,5H,1-2H2,(H2,4,6,7);1H
InChIKeyXKDAEBUZDCSSRH-UHFFFAOYSA-N
XLogP-2.73
TPSA144.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 5-2.73
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-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
The IUPAC name of azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride (CID 160516410) is azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
The canonical SMILES for azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride is Cl.NS(=O)(=O)C1CN(CC2COC2)C1.NS(=O)(=O)C1CNC1.
What is the InChIKey of azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
The InChIKey is XKDAEBUZDCSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.C3H8N2O2S.ClH/c8-13(10,11)7-2-9(3-7)1-6-4-12-5-6;4-8(6,7)3-1-5-2-3;/h6-7H,1-5H2,(H2,8,10,11);3,5H,1-2H2,(H2,4,6,7);1H.
What are the key properties of azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
azetidine-3-sulfonamide;1-(oxetan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of -2.73, 4 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-ylmethyl)azetidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 160516410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).