N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine

C10H15NS — CID 124547857

IUPACN-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine
SMILESCNC[C@@H]1CCCc2ccsc21
InChIInChI=1S/C10H15NS/c1-11-7-9-4-2-3-8-5-6-12-10(8)9/h5-6,9,11H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyQFMGONGWMDRQGW-VIFPVBQESA-N
MW181.30 g/mol
LogP2.39
Rot. Bonds2

About N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine

N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine (PubChem CID 124547857) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine
PubChem CID124547857
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine
SMILESCNC[C@@H]1CCCc2ccsc21
InChIInChI=1S/C10H15NS/c1-11-7-9-4-2-3-8-5-6-12-10(8)9/h5-6,9,11H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyQFMGONGWMDRQGW-VIFPVBQESA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine?
The IUPAC name of N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine (CID 124547857) is N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine?
The canonical SMILES for N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine is CNC[C@@H]1CCCc2ccsc21.
What is the InChIKey of N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine?
The InChIKey is QFMGONGWMDRQGW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NS/c1-11-7-9-4-2-3-8-5-6-12-10(8)9/h5-6,9,11H,2-4,7H2,1H3/t9-/m0/s1.
What are the key properties of N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine?
N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(7S)-4,5,6,7-tetrahydro-1-benzothiophen-7-yl]methanamine is sourced from PubChem (CID 124547857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).