N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide

C16H24N2O3S — CID 98777310

IUPACN-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@H]21
InChIInChI=1S/C16H24N2O3S/c1-22(19,20)17-9-16-15-7-8-18(11-14(15)12-21-16)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3/t14-,15-,16+/m1/s1
InChIKeyYCCGPKDBFWGAGQ-OAGGEKHMSA-N
MW324.45 g/mol
LogP1.07
Rot. Bonds5

About N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide

N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide (PubChem CID 98777310) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
PubChem CID98777310
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@H]21
InChIInChI=1S/C16H24N2O3S/c1-22(19,20)17-9-16-15-7-8-18(11-14(15)12-21-16)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3/t14-,15-,16+/m1/s1
InChIKeyYCCGPKDBFWGAGQ-OAGGEKHMSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide (CID 98777310) is N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@H]21.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
The InChIKey is YCCGPKDBFWGAGQ-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(19,20)17-9-16-15-7-8-18(11-14(15)12-21-16)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide?
N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 98777310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).