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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C18H26F3N3O6S — CID 155850217

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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O4S.C2HF3O2/c1-11-15(12(2)23-18-11)6-19-5-13-7-22-10-16(13,9-19)8-17-24(20,21)14-3-4-14;3-2(4,5)1(6)7/h13-14,17H,3-10H2,1-2H3;(H,6,7)/t13-,16+;/m1./s1
InChIKeyOBAGWHPREPFUPR-CACIRBSMSA-N
MW469.48 g/mol
LogP1.45
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]cyclopropanesulfonamide;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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155850217) has the molecular formula C18H26F3N3O6S and a molecular weight of 469.48 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]cyclopropanesulfonamide;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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155850217
Molecular FormulaC18H26F3N3O6S
Molecular Weight469.48 g/mol
Exact Mass469.15
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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O4S.C2HF3O2/c1-11-15(12(2)23-18-11)6-19-5-13-7-22-10-16(13,9-19)8-17-24(20,21)14-3-4-14;3-2(4,5)1(6)7/h13-14,17H,3-10H2,1-2H3;(H,6,7)/t13-,16+;/m1./s1
InChIKeyOBAGWHPREPFUPR-CACIRBSMSA-N
XLogP1.45
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 51.45
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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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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]cyclopropanesulfonamide;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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155850217) 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]cyclopropanesulfonamide;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]cyclopropanesulfonamide;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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1.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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is OBAGWHPREPFUPR-CACIRBSMSA-N. The full InChI is InChI=1S/C16H25N3O4S.C2HF3O2/c1-11-15(12(2)23-18-11)6-19-5-13-7-22-10-16(13,9-19)8-17-24(20,21)14-3-4-14;3-2(4,5)1(6)7/h13-14,17H,3-10H2,1-2H3;(H,6,7)/t13-,16+;/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]cyclopropanesulfonamide;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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.48 g/mol, XLogP of 1.45, 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]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).