5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid

C13H20N2O2S — CID 105415367

IUPAC5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-14(2)13(7-4-8-13)9-15(3)11-6-5-10(18-11)12(16)17/h5-6H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyFNGMDXHFYJYBEZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.37
Rot. Bonds5

About 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid

5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid (PubChem CID 105415367) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
PubChem CID105415367
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-14(2)13(7-4-8-13)9-15(3)11-6-5-10(18-11)12(16)17/h5-6H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyFNGMDXHFYJYBEZ-UHFFFAOYSA-N
XLogP2.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
CID 105415380
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695
4-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzoic acid
CID 105420191
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,5-difluorobenzoic acid
CID 105415374
1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242816
4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 105414412
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365871
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
5-[bis(3-methylbutyl)amino]thiophene-2-carboxylic acid
CID 107870298

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid (CID 105415367) is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid is CN(CC1(N(C)C)CCC1)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid?
The InChIKey is FNGMDXHFYJYBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14(2)13(7-4-8-13)9-15(3)11-6-5-10(18-11)12(16)17/h5-6H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid?
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 105415367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).