7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid

C10H13NO2S — CID 112716540

IUPAC7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid
SMILESCC1CCc2ccsc2C1(N)C(=O)O
InChIInChI=1S/C10H13NO2S/c1-6-2-3-7-4-5-14-8(7)10(6,11)9(12)13/h4-6H,2-3,11H2,1H3,(H,12,13)
InChIKeyLFZTWCCKDPQZST-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.57
Rot. Bonds1

About 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid

7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid (PubChem CID 112716540) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid.

Molecular Properties

Compound Name7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid
PubChem CID112716540
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid
SMILESCC1CCc2ccsc2C1(N)C(=O)O
InChIInChI=1S/C10H13NO2S/c1-6-2-3-7-4-5-14-8(7)10(6,11)9(12)13/h4-6H,2-3,11H2,1H3,(H,12,13)
InChIKeyLFZTWCCKDPQZST-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-ditert-butyl-4,5-dihydrocyclopenta[b]thiophene
CID 176611106
7-amino-6-methyl-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
CID 112715027
5-hydroxy-6-methyl-7,8-dihydro-6H-isoquinoline-5-carboxylic acid
CID 112715998
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054
2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
CID 130948762
6-(2-aminoethyl)-5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ol
CID 112715527
7-phenyl-5,6-dihydro-4H-1-benzothiophen-7-amine
CID 177304925
6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 112714388
7,7-dihydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran;ethane
CID 142122923
1-(3-ethylthiophen-2-yl)-2-methylcyclopropan-1-ol
CID 79333602
6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran
CID 12509779
2-(2-methylthiophen-3-yl)acetic acid
CID 768693

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid?
The IUPAC name of 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid (CID 112716540) is 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid.
What is the SMILES notation for 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid?
The canonical SMILES for 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid is CC1CCc2ccsc2C1(N)C(=O)O.
What is the InChIKey of 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid?
The InChIKey is LFZTWCCKDPQZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-2-3-7-4-5-14-8(7)10(6,11)9(12)13/h4-6H,2-3,11H2,1H3,(H,12,13).
What are the key properties of 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid?
7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methyl-5,6-dihydro-4H-1-benzothiophene-7-carboxylic acid is sourced from PubChem (CID 112716540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).