methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate

C17H23NO6S2 — CID 1068183

IUPACmethyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate
SMILESCCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)OC
InChIInChI=1S/C17H23NO6S2/c1-5-10-25(20,21)15-13-12(3)8-7-9-18(13)14(17(19)24-4)16(15)26(22,23)11-6-2/h7-9H,5-6,10-11H2,1-4H3
InChIKeyULLNZNLJIPJRFB-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.40
Rot. Bonds7

About methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate

methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate (PubChem CID 1068183) has the molecular formula C17H23NO6S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate
PubChem CID1068183
Molecular FormulaC17H23NO6S2
Molecular Weight401.51 g/mol
Exact Mass401.10
IUPAC Namemethyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate
SMILESCCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)OC
InChIInChI=1S/C17H23NO6S2/c1-5-10-25(20,21)15-13-12(3)8-7-9-18(13)14(17(19)24-4)16(15)26(22,23)11-6-2/h7-9H,5-6,10-11H2,1-4H3
InChIKeyULLNZNLJIPJRFB-UHFFFAOYSA-N
XLogP2.40
TPSA98.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate?
The IUPAC name of methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate (CID 1068183) is methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate?
The canonical SMILES for methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate is CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)OC.
What is the InChIKey of methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate?
The InChIKey is ULLNZNLJIPJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6S2/c1-5-10-25(20,21)15-13-12(3)8-7-9-18(13)14(17(19)24-4)16(15)26(22,23)11-6-2/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate?
methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1,2-bis(propylsulfonyl)indolizine-3-carboxylate is sourced from PubChem (CID 1068183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).