3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide

C16H24N2O5S2 — CID 169414643

IUPAC3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCS(=O)(=O)N2CCc3oc(C4CCC4)nc3C2)C1
InChIInChI=1S/C16H24N2O5S2/c19-24(20)8-5-12(11-24)6-9-25(21,22)18-7-4-15-14(10-18)17-16(23-15)13-2-1-3-13/h12-13H,1-11H2
InChIKeyFHHNDHMTFQHAGC-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.45
Rot. Bonds5

About 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide

3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide (PubChem CID 169414643) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide
PubChem CID169414643
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCS(=O)(=O)N2CCc3oc(C4CCC4)nc3C2)C1
InChIInChI=1S/C16H24N2O5S2/c19-24(20)8-5-12(11-24)6-9-25(21,22)18-7-4-15-14(10-18)17-16(23-15)13-2-1-3-13/h12-13H,1-11H2
InChIKeyFHHNDHMTFQHAGC-UHFFFAOYSA-N
XLogP1.45
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide (CID 169414643) is 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CCS(=O)(=O)N2CCc3oc(C4CCC4)nc3C2)C1.
What is the InChIKey of 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide?
The InChIKey is FHHNDHMTFQHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c19-24(20)8-5-12(11-24)6-9-25(21,22)18-7-4-15-14(10-18)17-16(23-15)13-2-1-3-13/h12-13H,1-11H2.
What are the key properties of 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide?
3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide has a molecular weight of 388.51 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)sulfonyl]ethyl]thiolane 1,1-dioxide is sourced from PubChem (CID 169414643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).