N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride

C11H15ClN2O2S — CID 155839888

IUPACN-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CN[C@@H]2COC[C@@H]21)c1ccsc1
InChIInChI=1S/C11H14N2O2S.ClH/c14-11(7-1-2-16-6-7)13-9-3-12-10-5-15-4-8(9)10;/h1-2,6,8-10,12H,3-5H2,(H,13,14);1H/t8-,9-,10-;/m1./s1
InChIKeyBQMJVYXXTJIKKI-RWDYHCJXSA-N
MW274.77 g/mol
LogP0.89
Rot. Bonds2

About N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride

N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride (PubChem CID 155839888) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride
PubChem CID155839888
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CN[C@@H]2COC[C@@H]21)c1ccsc1
InChIInChI=1S/C11H14N2O2S.ClH/c14-11(7-1-2-16-6-7)13-9-3-12-10-5-15-4-8(9)10;/h1-2,6,8-10,12H,3-5H2,(H,13,14);1H/t8-,9-,10-;/m1./s1
InChIKeyBQMJVYXXTJIKKI-RWDYHCJXSA-N
XLogP0.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride (CID 155839888) is N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CN[C@@H]2COC[C@@H]21)c1ccsc1.
What is the InChIKey of N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is BQMJVYXXTJIKKI-RWDYHCJXSA-N. The full InChI is InChI=1S/C11H14N2O2S.ClH/c14-11(7-1-2-16-6-7)13-9-3-12-10-5-15-4-8(9)10;/h1-2,6,8-10,12H,3-5H2,(H,13,14);1H/t8-,9-,10-;/m1./s1.
What are the key properties of N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride?
N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrol-3-yl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 155839888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).