1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine

C11H14FNOS — CID 171720946

IUPAC1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine
SMILESCNC[C@@H]1OCC2(CC2)c2c(F)csc21
InChIInChI=1S/C11H14FNOS/c1-13-4-8-10-9(7(12)5-15-10)11(2-3-11)6-14-8/h5,8,13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyTVQZYGIVNKIHEB-QMMMGPOBSA-N
MW227.30 g/mol
LogP2.21
Rot. Bonds2

About 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine

1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine (PubChem CID 171720946) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine
PubChem CID171720946
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine
SMILESCNC[C@@H]1OCC2(CC2)c2c(F)csc21
InChIInChI=1S/C11H14FNOS/c1-13-4-8-10-9(7(12)5-15-10)11(2-3-11)6-14-8/h5,8,13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyTVQZYGIVNKIHEB-QMMMGPOBSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine 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 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine?
The IUPAC name of 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine (CID 171720946) is 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine is CNC[C@@H]1OCC2(CC2)c2c(F)csc21.
What is the InChIKey of 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine?
The InChIKey is TVQZYGIVNKIHEB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-13-4-8-10-9(7(12)5-15-10)11(2-3-11)6-14-8/h5,8,13H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine?
1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine has a molecular weight of 227.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-3-fluorospiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]-N-methylmethanamine is sourced from PubChem (CID 171720946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).