3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol

C12H21NO4S — CID 154797563

IUPAC3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CC1CCCCO1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H21NO4S/c14-12(10-4-5-10)8-13(9-12)18(15,16)7-11-3-1-2-6-17-11/h10-11,14H,1-9H2
InChIKeyYCZUVHIAUGQIQW-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.34
Rot. Bonds4

About 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol

3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol (PubChem CID 154797563) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol
PubChem CID154797563
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol
SMILESO=S(=O)(CC1CCCCO1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H21NO4S/c14-12(10-4-5-10)8-13(9-12)18(15,16)7-11-3-1-2-6-17-11/h10-11,14H,1-9H2
InChIKeyYCZUVHIAUGQIQW-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol (CID 154797563) is 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol is O=S(=O)(CC1CCCCO1)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol?
The InChIKey is YCZUVHIAUGQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-12(10-4-5-10)8-13(9-12)18(15,16)7-11-3-1-2-6-17-11/h10-11,14H,1-9H2.
What are the key properties of 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol?
3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol has a molecular weight of 275.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol is sourced from PubChem (CID 154797563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).