1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride

C7H16ClN3O3S — CID 138039753

IUPAC1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride
SMILESCl.O=S(=O)(N1CCNCC1)N1CC(O)C1
InChIInChI=1S/C7H15N3O3S.ClH/c11-7-5-10(6-7)14(12,13)9-3-1-8-2-4-9;/h7-8,11H,1-6H2;1H
InChIKeyBKKDPOHHDUAQEB-UHFFFAOYSA-N
MW257.74 g/mol
LogP-1.77
Rot. Bonds2

About 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride

1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride (PubChem CID 138039753) has the molecular formula C7H16ClN3O3S and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride
PubChem CID138039753
Molecular FormulaC7H16ClN3O3S
Molecular Weight257.74 g/mol
Exact Mass257.06
IUPAC Name1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride
SMILESCl.O=S(=O)(N1CCNCC1)N1CC(O)C1
InChIInChI=1S/C7H15N3O3S.ClH/c11-7-5-10(6-7)14(12,13)9-3-1-8-2-4-9;/h7-8,11H,1-6H2;1H
InChIKeyBKKDPOHHDUAQEB-UHFFFAOYSA-N
XLogP-1.77
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
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molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
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1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
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CID 112626102
1,2-dimethyl-4-piperazin-1-ylsulfonylpiperazine
CID 63608690
4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
CID 81115561
piperazine-1-sulfonamide;hydrochloride
CID 67467256
1-methylsulfonylpiperazine
CID 709161
4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride (CID 138039753) is 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride is Cl.O=S(=O)(N1CCNCC1)N1CC(O)C1.
What is the InChIKey of 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride?
The InChIKey is BKKDPOHHDUAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S.ClH/c11-7-5-10(6-7)14(12,13)9-3-1-8-2-4-9;/h7-8,11H,1-6H2;1H.
What are the key properties of 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride?
1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride has a molecular weight of 257.74 g/mol, XLogP of -1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 138039753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).