1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol

C8H16ClNO3S — CID 107858933

IUPAC1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCl)C1
InChIInChI=1S/C8H16ClNO3S/c1-2-3-8(11)6-10(7-8)14(12,13)5-4-9/h11H,2-7H2,1H3
InChIKeyRGCBPIADWXFAQL-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.40
Rot. Bonds5

About 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol

1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol (PubChem CID 107858933) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol
PubChem CID107858933
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)CCCl)C1
InChIInChI=1S/C8H16ClNO3S/c1-2-3-8(11)6-10(7-8)14(12,13)5-4-9/h11H,2-7H2,1H3
InChIKeyRGCBPIADWXFAQL-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.40
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

3-Propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-ol
CID 83058647
1-Tert-butylsulfonyl-3-propylazetidin-3-ol
CID 65928740
1-(2-Methylsulfonylethylsulfonyl)-3-propylazetidin-3-ol
CID 65928741
3-Propyl-1-propylsulfonylazetidin-3-ol
CID 65928746
1-(2-Methoxyethylsulfonyl)-3-propylazetidin-3-ol
CID 65929999
1-(3-Methoxypropylsulfonyl)-3-propylazetidin-3-ol
CID 65930002
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
3-Cyclopropyl-1-(2-methylpropylsulfonyl)azetidin-3-ol
CID 65934357
1-Butylsulfonyl-3-cyclopropylazetidin-3-ol
CID 65934759
3-Cyclopropyl-1-propylsulfonylazetidin-3-ol
CID 65935950

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol (CID 107858933) is 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol is CCCC1(O)CN(S(=O)(=O)CCCl)C1.
What is the InChIKey of 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol?
The InChIKey is RGCBPIADWXFAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-2-3-8(11)6-10(7-8)14(12,13)5-4-9/h11H,2-7H2,1H3.
What are the key properties of 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol?
1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol has a molecular weight of 241.74 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfonyl)-3-propylazetidin-3-ol is sourced from PubChem (CID 107858933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).