N-[[(3aS,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;2,2,2-trifluoroacetic acid

C17H26F3N3O6S — CID 155828511

IUPACN-[[(3aS,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;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1c(C)noc1C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N3O4S.C2HF3O2/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;3-2(4,5)1(6)7/h13,16H,4-10H2,1-3H3;(H,6,7)/t13-,15+;/m1./s1
InChIKeyADTPIQIBWFLRCN-PBCQUBLHSA-N
MW457.47 g/mol
LogP1.31
Rot. Bonds6

About N-[[(3aS,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;2,2,2-trifluoroacetic acid

N-[[(3aS,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;2,2,2-trifluoroacetic acid (PubChem CID 155828511) has the molecular formula C17H26F3N3O6S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[[(3aS,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;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3aS,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;2,2,2-trifluoroacetic acid
PubChem CID155828511
Molecular FormulaC17H26F3N3O6S
Molecular Weight457.47 g/mol
Exact Mass457.15
IUPAC NameN-[[(3aS,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;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1c(C)noc1C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N3O4S.C2HF3O2/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;3-2(4,5)1(6)7/h13,16H,4-10H2,1-3H3;(H,6,7)/t13-,15+;/m1./s1
InChIKeyADTPIQIBWFLRCN-PBCQUBLHSA-N
XLogP1.31
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(3aS,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;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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CID 155825875
CID 155833261
CID 155833261
CID 155833292
CID 155833292
CID 155837498
CID 155837498
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CID 155850217
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CID 125258251
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CID 125259638
CID 125259638

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,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;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3aS,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;2,2,2-trifluoroacetic acid (CID 155828511) is N-[[(3aS,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;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3aS,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;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3aS,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;2,2,2-trifluoroacetic acid is CCS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1c(C)noc1C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3aS,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;2,2,2-trifluoroacetic acid?
The InChIKey is ADTPIQIBWFLRCN-PBCQUBLHSA-N. The full InChI is InChI=1S/C15H25N3O4S.C2HF3O2/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;3-2(4,5)1(6)7/h13,16H,4-10H2,1-3H3;(H,6,7)/t13-,15+;/m1./s1.
What are the key properties of N-[[(3aS,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;2,2,2-trifluoroacetic acid?
N-[[(3aS,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;2,2,2-trifluoroacetic acid has a molecular weight of 457.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).