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

C14H20N2O3S — CID 105420013

IUPAC5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H20N2O3S/c1-15(2)14(7-4-8-14)9-16(3)12(17)10-5-6-11(20-10)13(18)19/h5-6H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyRDCXUOXESRAJDV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.00
Rot. Bonds5

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

5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 105420013) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID105420013
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C14H20N2O3S/c1-15(2)14(7-4-8-14)9-16(3)12(17)10-5-6-11(20-10)13(18)19/h5-6H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyRDCXUOXESRAJDV-UHFFFAOYSA-N
XLogP2.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
CID 105415367
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414823
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 105416236
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 105413428
4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105417543
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 105414412
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 105420406

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid (CID 105420013) is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid is CN(CC1(N(C)C)CCC1)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is RDCXUOXESRAJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(2)14(7-4-8-14)9-16(3)12(17)10-5-6-11(20-10)13(18)19/h5-6H,4,7-9H2,1-3H3,(H,18,19).
What are the key properties of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.00, 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-methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 105420013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).