1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol

C9H18ClNO3S — CID 107858935

IUPAC1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C9H18ClNO3S/c1-2-4-9(12)7-11(8-9)15(13,14)6-3-5-10/h12H,2-8H2,1H3
InChIKeyRZTWUDLIFGPUIK-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.79
Rot. Bonds6

About 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol

1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol (PubChem CID 107858935) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol
PubChem CID107858935
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C9H18ClNO3S/c1-2-4-9(12)7-11(8-9)15(13,14)6-3-5-10/h12H,2-8H2,1H3
InChIKeyRZTWUDLIFGPUIK-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butylsulfonyl-3-propylazetidin-3-ol
CID 65928740
3-Propyl-1-propylsulfonylazetidin-3-ol
CID 65928746
1-(2,2-Dimethylpropylsulfonyl)-3-propylazetidin-3-ol
CID 65930196
1-Propan-2-ylsulfonyl-3-propylazetidin-3-ol
CID 65930396
1-Cyclohexylsulfonyl-3-propylazetidin-3-ol
CID 65930826
1-Butylsulfonyl-3-propylazetidin-3-ol
CID 65941256
1-Ethylsulfonyl-3-propylazetidin-3-ol
CID 65941464
1-Cyclopropylsulfonyl-3-propylazetidin-3-ol
CID 65942882
1-(2-Methylpropylsulfonyl)-3-propylazetidin-3-ol
CID 65943291
1-(3-Methylbutylsulfonyl)-3-propylazetidin-3-ol
CID 65943887
1-(Cyclopropylmethylsulfonyl)-3-propylazetidin-3-ol
CID 65943896
1-(4-Chlorobutylsulfonyl)-3-cyclopropylazetidin-3-ol
CID 102685195

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol (CID 107858935) is 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol is CCCC1(O)CN(S(=O)(=O)CCCCl)C1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol?
The InChIKey is RZTWUDLIFGPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-2-4-9(12)7-11(8-9)15(13,14)6-3-5-10/h12H,2-8H2,1H3.
What are the key properties of 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol?
1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol has a molecular weight of 255.77 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-3-propylazetidin-3-ol is sourced from PubChem (CID 107858935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).