N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide

C16H22N2O2S — CID 97459649

IUPACN-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@@H]1CN(Cc2cccs2)[C@@H]2COC[C@@H]21)C1CCC1
InChIInChI=1S/C16H22N2O2S/c19-16(11-3-1-4-11)17-14-8-18(7-12-5-2-6-21-12)15-10-20-9-13(14)15/h2,5-6,11,13-15H,1,3-4,7-10H2,(H,17,19)/t13-,14-,15-/m1/s1
InChIKeyYMULDTSDOOEFNM-RBSFLKMASA-N
MW306.43 g/mol
LogP1.86
Rot. Bonds4

About N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide

N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide (PubChem CID 97459649) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide
PubChem CID97459649
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@@H]1CN(Cc2cccs2)[C@@H]2COC[C@@H]21)C1CCC1
InChIInChI=1S/C16H22N2O2S/c19-16(11-3-1-4-11)17-14-8-18(7-12-5-2-6-21-12)15-10-20-9-13(14)15/h2,5-6,11,13-15H,1,3-4,7-10H2,(H,17,19)/t13-,14-,15-/m1/s1
InChIKeyYMULDTSDOOEFNM-RBSFLKMASA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide (CID 97459649) is N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide is O=C(N[C@@H]1CN(Cc2cccs2)[C@@H]2COC[C@@H]21)C1CCC1.
What is the InChIKey of N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide?
The InChIKey is YMULDTSDOOEFNM-RBSFLKMASA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-16(11-3-1-4-11)17-14-8-18(7-12-5-2-6-21-12)15-10-20-9-13(14)15/h2,5-6,11,13-15H,1,3-4,7-10H2,(H,17,19)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide?
N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide has a molecular weight of 306.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6aS)-1-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 97459649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).