3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide

C11H16N2O3S — CID 115047827

IUPAC3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cnc(C3CCCN3)o2)C1
InChIInChI=1S/C11H16N2O3S/c14-17(15)5-3-8(7-17)10-6-13-11(16-10)9-2-1-4-12-9/h6,8-9,12H,1-5,7H2
InChIKeyVBIBBYIYVLXQSB-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.00
Rot. Bonds2

About 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide

3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide (PubChem CID 115047827) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
PubChem CID115047827
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cnc(C3CCCN3)o2)C1
InChIInChI=1S/C11H16N2O3S/c14-17(15)5-3-8(7-17)10-6-13-11(16-10)9-2-1-4-12-9/h6,8-9,12H,1-5,7H2
InChIKeyVBIBBYIYVLXQSB-UHFFFAOYSA-N
XLogP1.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115335815
5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115033418
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
CID 115085669
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]-N-methylmethanamine
CID 115084990
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
CID 82049611
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide (CID 115047827) is 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2cnc(C3CCCN3)o2)C1.
What is the InChIKey of 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide?
The InChIKey is VBIBBYIYVLXQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-17(15)5-3-8(7-17)10-6-13-11(16-10)9-2-1-4-12-9/h6,8-9,12H,1-5,7H2.
What are the key properties of 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide?
3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide has a molecular weight of 256.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 115047827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).