3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide

C11H21NO2S — CID 79451711

IUPAC3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
SMILESCCCCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C11H21NO2S/c1-2-3-5-11(8-12-9-11)10-4-6-15(13,14)7-10/h10,12H,2-9H2,1H3
InChIKeyDMFDPDVPMWQLJJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.20
Rot. Bonds4

About 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide

3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide (PubChem CID 79451711) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
PubChem CID79451711
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
SMILESCCCCC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C11H21NO2S/c1-2-3-5-11(8-12-9-11)10-4-6-15(13,14)7-10/h10,12H,2-9H2,1H3
InChIKeyDMFDPDVPMWQLJJ-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide (CID 79451711) is 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide is CCCCC1(C2CCS(=O)(=O)C2)CNC1.
What is the InChIKey of 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide?
The InChIKey is DMFDPDVPMWQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-3-5-11(8-12-9-11)10-4-6-15(13,14)7-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide?
3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide has a molecular weight of 231.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 79451711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).