(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine

C12H17NOS — CID 171720994

IUPAC(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine
SMILESCN[C@H](C)[C@@H]1OCC2(CC2)c2ccsc21
InChIInChI=1S/C12H17NOS/c1-8(13-2)10-11-9(3-6-15-11)12(4-5-12)7-14-10/h3,6,8,10,13H,4-5,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyLAYMTOSVIAPZTI-SCZZXKLOSA-N
MW223.34 g/mol
LogP2.46
Rot. Bonds2

About (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine

(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine (PubChem CID 171720994) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine
PubChem CID171720994
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine
SMILESCN[C@H](C)[C@@H]1OCC2(CC2)c2ccsc21
InChIInChI=1S/C12H17NOS/c1-8(13-2)10-11-9(3-6-15-11)12(4-5-12)7-14-10/h3,6,8,10,13H,4-5,7H2,1-2H3/t8-,10+/m1/s1
InChIKeyLAYMTOSVIAPZTI-SCZZXKLOSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine (CID 171720994) is (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine is CN[C@H](C)[C@@H]1OCC2(CC2)c2ccsc21.
What is the InChIKey of (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine?
The InChIKey is LAYMTOSVIAPZTI-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8(13-2)10-11-9(3-6-15-11)12(4-5-12)7-14-10/h3,6,8,10,13H,4-5,7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine?
(1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine has a molecular weight of 223.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-[(7S)-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl]ethanamine is sourced from PubChem (CID 171720994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).