N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine

C10H15NOS — CID 166631215

IUPACN-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine
SMILESCNC[C@]1(C)OCCc2ccsc21
InChIInChI=1S/C10H15NOS/c1-10(7-11-2)9-8(3-5-12-10)4-6-13-9/h4,6,11H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyKJOMHRUJAVDLSX-JTQLQIEISA-N
MW197.30 g/mol
LogP1.76
Rot. Bonds2

About N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine

N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine (PubChem CID 166631215) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine
PubChem CID166631215
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine
SMILESCNC[C@]1(C)OCCc2ccsc21
InChIInChI=1S/C10H15NOS/c1-10(7-11-2)9-8(3-5-12-10)4-6-13-9/h4,6,11H,3,5,7H2,1-2H3/t10-/m0/s1
InChIKeyKJOMHRUJAVDLSX-JTQLQIEISA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine?
The IUPAC name of N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine (CID 166631215) is N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine?
The canonical SMILES for N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine is CNC[C@]1(C)OCCc2ccsc21.
What is the InChIKey of N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine?
The InChIKey is KJOMHRUJAVDLSX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(7-11-2)9-8(3-5-12-10)4-6-13-9/h4,6,11H,3,5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine?
N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine has a molecular weight of 197.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(7S)-7-methyl-4,5-dihydrothieno[2,3-c]pyran-7-yl]methanamine is sourced from PubChem (CID 166631215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).