dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium

C12H16NS+ — CID 7172332

IUPACdimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
SMILESCc1ccc2sc(C[NH+](C)C)cc2c1
InChIInChI=1S/C12H15NS/c1-9-4-5-12-10(6-9)7-11(14-12)8-13(2)3/h4-7H,8H2,1-3H3/p+1
InChIKeyPLFALEXIBRJFPD-UHFFFAOYSA-O
MW206.33 g/mol
LogP1.85
Rot. Bonds2

About dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium

dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium (PubChem CID 7172332) has the molecular formula C12H16NS+ and a molecular weight of 206.33 g/mol. Its IUPAC name is dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
PubChem CID7172332
Molecular FormulaC12H16NS+
Molecular Weight206.33 g/mol
Exact Mass206.10
IUPAC Namedimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
SMILESCc1ccc2sc(C[NH+](C)C)cc2c1
InChIInChI=1S/C12H15NS/c1-9-4-5-12-10(6-9)7-11(14-12)8-13(2)3/h4-7H,8H2,1-3H3/p+1
InChIKeyPLFALEXIBRJFPD-UHFFFAOYSA-O
XLogP1.85
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185334
4-[(5-methyl-1-benzothiophen-2-yl)methyl]morpholine
CID 117185317
1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine
CID 117185318
3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
CID 117185338
N,N,5-trimethyl-1-benzothiophen-2-amine
CID 166120724
N,5-dimethyl-1-benzothiophen-2-amine
CID 142226168
4-(5-methyl-1-benzothiophen-2-yl)morpholine
CID 12539106
3-methyl-5-[(5-methyl-1-benzothiophen-2-yl)methoxy]-1,3-benzoxazole-2-thione
CID 146648636
6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
CID 117185899
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium?
The IUPAC name of dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium (CID 7172332) is dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium.
What is the SMILES notation for dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium?
The canonical SMILES for dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium is Cc1ccc2sc(C[NH+](C)C)cc2c1.
What is the InChIKey of dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium?
The InChIKey is PLFALEXIBRJFPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15NS/c1-9-4-5-12-10(6-9)7-11(14-12)8-13(2)3/h4-7H,8H2,1-3H3/p+1.
What are the key properties of dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium?
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium has a molecular weight of 206.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium is sourced from PubChem (CID 7172332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).