N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide

C20H28N2O6S — CID 110144108

IUPACN-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide
SMILESCOc1cccc2c1OC1(CCN(C(=O)CNS(C)(=O)=O)CC1)[C@H]1CCCO[C@H]21
InChIInChI=1S/C20H28N2O6S/c1-26-16-7-3-5-14-18-15(6-4-12-27-18)20(28-19(14)16)8-10-22(11-9-20)17(23)13-21-29(2,24)25/h3,5,7,15,18,21H,4,6,8-13H2,1-2H3/t15-,18+/m0/s1
InChIKeyZSWBAWMAHYFGFR-MAUKXSAKSA-N
MW424.52 g/mol
LogP1.47
Rot. Bonds4

About N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide

N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110144108) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110144108
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC NameN-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide
SMILESCOc1cccc2c1OC1(CCN(C(=O)CNS(C)(=O)=O)CC1)[C@H]1CCCO[C@H]21
InChIInChI=1S/C20H28N2O6S/c1-26-16-7-3-5-14-18-15(6-4-12-27-18)20(28-19(14)16)8-10-22(11-9-20)17(23)13-21-29(2,24)25/h3,5,7,15,18,21H,4,6,8-13H2,1-2H3/t15-,18+/m0/s1
InChIKeyZSWBAWMAHYFGFR-MAUKXSAKSA-N
XLogP1.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide (CID 110144108) is N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide is COc1cccc2c1OC1(CCN(C(=O)CNS(C)(=O)=O)CC1)[C@H]1CCCO[C@H]21.
What is the InChIKey of N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is ZSWBAWMAHYFGFR-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-26-16-7-3-5-14-18-15(6-4-12-27-18)20(28-19(14)16)8-10-22(11-9-20)17(23)13-21-29(2,24)25/h3,5,7,15,18,21H,4,6,8-13H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110144108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).