N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide

C15H23N3O3S — CID 97420599

IUPACN-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2
InChIInChI=1S/C15H23N3O3S/c1-2-22(19,20)17-10-15-11-18(8-14(15)9-21-12-15)7-13-3-5-16-6-4-13/h3-6,14,17H,2,7-12H2,1H3/t14-,15+/m1/s1
InChIKeyCTQISFRGOSKEOX-CABCVRRESA-N
MW325.43 g/mol
LogP0.47
Rot. Bonds6

About N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide

N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (PubChem CID 97420599) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
PubChem CID97420599
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2
InChIInChI=1S/C15H23N3O3S/c1-2-22(19,20)17-10-15-11-18(8-14(15)9-21-12-15)7-13-3-5-16-6-4-13/h3-6,14,17H,2,7-12H2,1H3/t14-,15+/m1/s1
InChIKeyCTQISFRGOSKEOX-CABCVRRESA-N
XLogP0.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide 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-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (CID 97420599) is N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2.
What is the InChIKey of N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The InChIKey is CTQISFRGOSKEOX-CABCVRRESA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-22(19,20)17-10-15-11-18(8-14(15)9-21-12-15)7-13-3-5-16-6-4-13/h3-6,14,17H,2,7-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 97420599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).