N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide

C23H30N2O5S2 — CID 10299372

IUPACN-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cccc(COc2ccc(C3CCC4CCCCN43)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C23H30N2O5S2/c1-31(26,27)25(32(2,28)29)21-8-5-6-18(16-21)17-30-22-12-9-19(10-13-22)23-14-11-20-7-3-4-15-24(20)23/h5-6,8-10,12-13,16,20,23H,3-4,7,11,14-15,17H2,1-2H3
InChIKeyADLBEXQKNIHUCR-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide

N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 10299372) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide
PubChem CID10299372
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC NameN-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1cccc(COc2ccc(C3CCC4CCCCN43)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C23H30N2O5S2/c1-31(26,27)25(32(2,28)29)21-8-5-6-18(16-21)17-30-22-12-9-19(10-13-22)23-14-11-20-7-3-4-15-24(20)23/h5-6,8-10,12-13,16,20,23H,3-4,7,11,14-15,17H2,1-2H3
InChIKeyADLBEXQKNIHUCR-UHFFFAOYSA-N
XLogP3.68
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide (CID 10299372) is N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(c1cccc(COc2ccc(C3CCC4CCCCN43)cc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is ADLBEXQKNIHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-31(26,27)25(32(2,28)29)21-8-5-6-18(16-21)17-30-22-12-9-19(10-13-22)23-14-11-20-7-3-4-15-24(20)23/h5-6,8-10,12-13,16,20,23H,3-4,7,11,14-15,17H2,1-2H3.
What are the key properties of N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide?
N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 478.64 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenoxy]methyl]phenyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 10299372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).