ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]

C12H19NS — CID 177037202

IUPACethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]
SMILESCC.CN1CCc2sccc2C12CC2
InChIInChI=1S/C10H13NS.C2H6/c1-11-6-2-9-8(3-7-12-9)10(11)4-5-10;1-2/h3,7H,2,4-6H2,1H3;1-2H3
InChIKeyQIRSENNIOCFMHC-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.25
Rot. Bonds

About ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]

ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane] (PubChem CID 177037202) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane].

Molecular Properties

Compound Nameethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]
PubChem CID177037202
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Nameethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]
SMILESCC.CN1CCc2sccc2C12CC2
InChIInChI=1S/C10H13NS.C2H6/c1-11-6-2-9-8(3-7-12-9)10(11)4-5-10;1-2/h3,7H,2,4-6H2,1H3;1-2H3
InChIKeyQIRSENNIOCFMHC-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]?
The IUPAC name of ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane] (CID 177037202) is ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane].
What is the SMILES notation for ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]?
The canonical SMILES for ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane] is CC.CN1CCc2sccc2C12CC2.
What is the InChIKey of ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]?
The InChIKey is QIRSENNIOCFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-11-6-2-9-8(3-7-12-9)10(11)4-5-10;1-2/h3,7H,2,4-6H2,1H3;1-2H3.
What are the key properties of ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]?
ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane] has a molecular weight of 209.36 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane] is sourced from PubChem (CID 177037202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).