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

C17H26N2O3S — CID 97420602

IUPACN-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2
InChIInChI=1S/C17H26N2O3S/c1-2-23(20,21)18-12-17-13-19(10-16(17)11-22-14-17)9-8-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3/t16-,17+/m1/s1
InChIKeyJPDXKAHPIIVZRG-SJORKVTESA-N
MW338.47 g/mol
LogP1.12
Rot. Bonds7

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

N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (PubChem CID 97420602) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
PubChem CID97420602
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@]12COC[C@H]1CN(CCc1ccccc1)C2
InChIInChI=1S/C17H26N2O3S/c1-2-23(20,21)18-12-17-13-19(10-16(17)11-22-14-17)9-8-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3/t16-,17+/m1/s1
InChIKeyJPDXKAHPIIVZRG-SJORKVTESA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide (CID 97420602) is N-[[(3aS,6aR)-5-(2-phenylethyl)-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-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(3aS,6aR)-5-(2-phenylethyl)-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(CCc1ccccc1)C2.
What is the InChIKey of N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
The InChIKey is JPDXKAHPIIVZRG-SJORKVTESA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-23(20,21)18-12-17-13-19(10-16(17)11-22-14-17)9-8-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3/t16-,17+/m1/s1.
What are the key properties of N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide?
N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 97420602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).