(4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide

C18H26N2O5S — CID 110144024

IUPAC(4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12
InChIInChI=1S/C18H26N2O5S/c1-19(2)26(22,23)20-10-8-18(9-11-20)14-6-4-12-24-16(14)13-5-3-7-15(21)17(13)25-18/h3,5,7,14,16,21H,4,6,8-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyILIOELFYMPUQGC-GOEBONIOSA-N
MW382.48 g/mol
LogP1.89
Rot. Bonds2

About (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide

(4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide (PubChem CID 110144024) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide.

Molecular Properties

Compound Name(4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide
PubChem CID110144024
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name(4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12
InChIInChI=1S/C18H26N2O5S/c1-19(2)26(22,23)20-10-8-18(9-11-20)14-6-4-12-24-16(14)13-5-3-7-15(21)17(13)25-18/h3,5,7,14,16,21H,4,6,8-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyILIOELFYMPUQGC-GOEBONIOSA-N
XLogP1.89
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide 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 (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide?
The IUPAC name of (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide (CID 110144024) is (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide.
What is the SMILES notation for (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide?
The canonical SMILES for (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12.
What is the InChIKey of (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide?
The InChIKey is ILIOELFYMPUQGC-GOEBONIOSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-19(2)26(22,23)20-10-8-18(9-11-20)14-6-4-12-24-16(14)13-5-3-7-15(21)17(13)25-18/h3,5,7,14,16,21H,4,6,8-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide?
(4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide has a molecular weight of 382.48 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bS)-7-hydroxy-N,N-dimethylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-sulfonamide is sourced from PubChem (CID 110144024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).