azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride

C9H23ClN4O5S2 — CID 158594633

IUPACazetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride
SMILESCC(CO)N1CC(S(N)(=O)=O)C1.Cl.NS(=O)(=O)C1CNC1
InChIInChI=1S/C6H14N2O3S.C3H8N2O2S.ClH/c1-5(4-9)8-2-6(3-8)12(7,10)11;4-8(6,7)3-1-5-2-3;/h5-6,9H,2-4H2,1H3,(H2,7,10,11);3,5H,1-2H2,(H2,4,6,7);1H
InChIKeyZBSFASIARANEPR-UHFFFAOYSA-N
MW366.89 g/mol
LogP-2.99
Rot. Bonds4

About azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride

azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride (PubChem CID 158594633) has the molecular formula C9H23ClN4O5S2 and a molecular weight of 366.89 g/mol. Its IUPAC name is azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Nameazetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride
PubChem CID158594633
Molecular FormulaC9H23ClN4O5S2
Molecular Weight366.89 g/mol
Exact Mass366.08
IUPAC Nameazetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride
SMILESCC(CO)N1CC(S(N)(=O)=O)C1.Cl.NS(=O)(=O)C1CNC1
InChIInChI=1S/C6H14N2O3S.C3H8N2O2S.ClH/c1-5(4-9)8-2-6(3-8)12(7,10)11;4-8(6,7)3-1-5-2-3;/h5-6,9H,2-4H2,1H3,(H2,7,10,11);3,5H,1-2H2,(H2,4,6,7);1H
InChIKeyZBSFASIARANEPR-UHFFFAOYSA-N
XLogP-2.99
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride?
The IUPAC name of azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride (CID 158594633) is azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride?
The canonical SMILES for azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride is CC(CO)N1CC(S(N)(=O)=O)C1.Cl.NS(=O)(=O)C1CNC1.
What is the InChIKey of azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride?
The InChIKey is ZBSFASIARANEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S.C3H8N2O2S.ClH/c1-5(4-9)8-2-6(3-8)12(7,10)11;4-8(6,7)3-1-5-2-3;/h5-6,9H,2-4H2,1H3,(H2,7,10,11);3,5H,1-2H2,(H2,4,6,7);1H.
What are the key properties of azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride?
azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of -2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-sulfonamide;1-(1-hydroxypropan-2-yl)azetidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 158594633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).