oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate

C23H34N2O7S — CID 167306966

IUPACoxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)OCC(C)(C)C(=O)OC1CCOCC1
InChIInChI=1S/C23H34N2O7S/c1-23(2,22(26)32-18-9-12-30-13-10-18)16-31-33(27,28)25-15-17(8-11-24(3)4)20-14-19(29-5)6-7-21(20)25/h6-7,14-15,18H,8-13,16H2,1-5H3
InChIKeyQJCRLMXGIPPSCZ-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.61
Rot. Bonds10

About oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate

oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate (PubChem CID 167306966) has the molecular formula C23H34N2O7S and a molecular weight of 482.60 g/mol. Its IUPAC name is oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameoxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
PubChem CID167306966
Molecular FormulaC23H34N2O7S
Molecular Weight482.60 g/mol
Exact Mass482.21
IUPAC Nameoxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)OCC(C)(C)C(=O)OC1CCOCC1
InChIInChI=1S/C23H34N2O7S/c1-23(2,22(26)32-18-9-12-30-13-10-18)16-31-33(27,28)25-15-17(8-11-24(3)4)20-14-19(29-5)6-7-21(20)25/h6-7,14-15,18H,8-13,16H2,1-5H3
InChIKeyQJCRLMXGIPPSCZ-UHFFFAOYSA-N
XLogP2.61
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
The IUPAC name of oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate (CID 167306966) is oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate.
What is the SMILES notation for oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
The canonical SMILES for oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)OCC(C)(C)C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
The InChIKey is QJCRLMXGIPPSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O7S/c1-23(2,22(26)32-18-9-12-30-13-10-18)16-31-33(27,28)25-15-17(8-11-24(3)4)20-14-19(29-5)6-7-21(20)25/h6-7,14-15,18H,8-13,16H2,1-5H3.
What are the key properties of oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate?
oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate has a molecular weight of 482.60 g/mol, XLogP of 2.61, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 3-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonyloxy-2,2-dimethylpropanoate is sourced from PubChem (CID 167306966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).