5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid

C17H19NO2S — CID 103232450

IUPAC5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CNc1cccc2c1CCCC2
InChIInChI=1S/C17H19NO2S/c1-11-13(9-16(21-11)17(19)20)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-9,18H,2-3,5,7,10H2,1H3,(H,19,20)
InChIKeySVXBDSSJSGETBR-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.25
Rot. Bonds4

About 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid

5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103232450) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103232450
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CNc1cccc2c1CCCC2
InChIInChI=1S/C17H19NO2S/c1-11-13(9-16(21-11)17(19)20)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-9,18H,2-3,5,7,10H2,1H3,(H,19,20)
InChIKeySVXBDSSJSGETBR-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(anilinomethyl)-5-methylthiophene-2-carboxylic acid
CID 103230882
4-[(2,5-difluoro-4-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103586416
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103239487
N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43217439
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 63526781
4-[[3-(dimethylamino)-4-methylanilino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103260528
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60688050
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid (CID 103232450) is 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CNc1cccc2c1CCCC2.
What is the InChIKey of 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is SVXBDSSJSGETBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-13(9-16(21-11)17(19)20)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-9,18H,2-3,5,7,10H2,1H3,(H,19,20).
What are the key properties of 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid?
5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103232450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).