N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

C18H30N2O5S — CID 156609414

IUPACN-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCOC1CCC2(OC)CCN(Cc3ccc(CN(C)S(C)(=O)=O)o3)C2C1
InChIInChI=1S/C18H30N2O5S/c1-19(26(4,21)22)12-15-5-6-16(25-15)13-20-10-9-18(24-3)8-7-14(23-2)11-17(18)20/h5-6,14,17H,7-13H2,1-4H3
InChIKeySHNSZVOSLSYJAX-UHFFFAOYSA-N
MW386.51 g/mol
LogP1.83
Rot. Bonds7

About N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 156609414) has the molecular formula C18H30N2O5S and a molecular weight of 386.51 g/mol. Its IUPAC name is N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID156609414
Molecular FormulaC18H30N2O5S
Molecular Weight386.51 g/mol
Exact Mass386.19
IUPAC NameN-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCOC1CCC2(OC)CCN(Cc3ccc(CN(C)S(C)(=O)=O)o3)C2C1
InChIInChI=1S/C18H30N2O5S/c1-19(26(4,21)22)12-15-5-6-16(25-15)13-20-10-9-18(24-3)8-7-14(23-2)11-17(18)20/h5-6,14,17H,7-13H2,1-4H3
InChIKeySHNSZVOSLSYJAX-UHFFFAOYSA-N
XLogP1.83
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide 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-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (CID 156609414) is N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is COC1CCC2(OC)CCN(Cc3ccc(CN(C)S(C)(=O)=O)o3)C2C1.
What is the InChIKey of N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is SHNSZVOSLSYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S/c1-19(26(4,21)22)12-15-5-6-16(25-15)13-20-10-9-18(24-3)8-7-14(23-2)11-17(18)20/h5-6,14,17H,7-13H2,1-4H3.
What are the key properties of N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 386.51 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 156609414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).