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

C15H25N3O4S — CID 125258251

IUPACN-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-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(Cc1c(C)noc1C)C2
InChIInChI=1S/C15H25N3O4S/c1-4-23(19,20)16-8-15-9-18(5-13(15)7-21-10-15)6-14-11(2)17-22-12(14)3/h13,16H,4-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyNYUHSKHOKZEDTI-UKRRQHHQSA-N
MW343.45 g/mol
LogP0.68
Rot. Bonds6

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

N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (PubChem CID 125258251) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
PubChem CID125258251
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-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(Cc1c(C)noc1C)C2
InChIInChI=1S/C15H25N3O4S/c1-4-23(19,20)16-8-15-9-18(5-13(15)7-21-10-15)6-14-11(2)17-22-12(14)3/h13,16H,4-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyNYUHSKHOKZEDTI-UKRRQHHQSA-N
XLogP0.68
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-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-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (CID 125258251) is N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-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(Cc1c(C)noc1C)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The InChIKey is NYUHSKHOKZEDTI-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-4-23(19,20)16-8-15-9-18(5-13(15)7-21-10-15)6-14-11(2)17-22-12(14)3/h13,16H,4-10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 125258251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).