propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate

C18H23NO5S — CID 59487252

IUPACpropyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate
SMILESCCCOC(=O)Cc1c2n(c3ccccc13)CC(OS(C)(=O)=O)CC2
InChIInChI=1S/C18H23NO5S/c1-3-10-23-18(20)11-15-14-6-4-5-7-16(14)19-12-13(8-9-17(15)19)24-25(2,21)22/h4-7,13H,3,8-12H2,1-2H3
InChIKeyQXRARIDYURZWHC-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.43
Rot. Bonds6

About propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate

propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate (PubChem CID 59487252) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate
PubChem CID59487252
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Namepropyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate
SMILESCCCOC(=O)Cc1c2n(c3ccccc13)CC(OS(C)(=O)=O)CC2
InChIInChI=1S/C18H23NO5S/c1-3-10-23-18(20)11-15-14-6-4-5-7-16(14)19-12-13(8-9-17(15)19)24-25(2,21)22/h4-7,13H,3,8-12H2,1-2H3
InChIKeyQXRARIDYURZWHC-UHFFFAOYSA-N
XLogP2.43
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate?
The IUPAC name of propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate (CID 59487252) is propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate.
What is the SMILES notation for propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate?
The canonical SMILES for propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate is CCCOC(=O)Cc1c2n(c3ccccc13)CC(OS(C)(=O)=O)CC2.
What is the InChIKey of propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate?
The InChIKey is QXRARIDYURZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-3-10-23-18(20)11-15-14-6-4-5-7-16(14)19-12-13(8-9-17(15)19)24-25(2,21)22/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate?
propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate has a molecular weight of 365.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate is sourced from PubChem (CID 59487252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).