N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide

C14H23N3O4S — CID 97420604

IUPACN-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1cc(C)on1)C2
InChIInChI=1S/C14H23N3O4S/c1-3-22(18,19)15-8-14-9-17(5-12(14)7-20-10-14)6-13-4-11(2)21-16-13/h4,12,15H,3,5-10H2,1-2H3/t12-,14+/m1/s1
InChIKeyWLSIDJUSYZHAMT-OCCSQVGLSA-N
MW329.42 g/mol
LogP0.37
Rot. Bonds6

About N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide

N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (PubChem CID 97420604) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
PubChem CID97420604
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1cc(C)on1)C2
InChIInChI=1S/C14H23N3O4S/c1-3-22(18,19)15-8-14-9-17(5-12(14)7-20-10-14)6-13-4-11(2)21-16-13/h4,12,15H,3,5-10H2,1-2H3/t12-,14+/m1/s1
InChIKeyWLSIDJUSYZHAMT-OCCSQVGLSA-N
XLogP0.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (CID 97420604) is N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-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-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-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(Cc1cc(C)on1)C2.
What is the InChIKey of N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The InChIKey is WLSIDJUSYZHAMT-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-3-22(18,19)15-8-14-9-17(5-12(14)7-20-10-14)6-13-4-11(2)21-16-13/h4,12,15H,3,5-10H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 97420604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).