5-(butylaminomethyl)thiophene-3-carboxamide

C10H16N2OS — CID 79606629

IUPAC5-(butylaminomethyl)thiophene-3-carboxamide
SMILESCCCCNCc1cc(C(N)=O)cs1
InChIInChI=1S/C10H16N2OS/c1-2-3-4-12-6-9-5-8(7-14-9)10(11)13/h5,7,12H,2-4,6H2,1H3,(H2,11,13)
InChIKeyVTOVEZZVGDSSTJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.74
Rot. Bonds6

About 5-(butylaminomethyl)thiophene-3-carboxamide

5-(butylaminomethyl)thiophene-3-carboxamide (PubChem CID 79606629) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(butylaminomethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(butylaminomethyl)thiophene-3-carboxamide
PubChem CID79606629
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-(butylaminomethyl)thiophene-3-carboxamide
SMILESCCCCNCc1cc(C(N)=O)cs1
InChIInChI=1S/C10H16N2OS/c1-2-3-4-12-6-9-5-8(7-14-9)10(11)13/h5,7,12H,2-4,6H2,1H3,(H2,11,13)
InChIKeyVTOVEZZVGDSSTJ-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448
5-propylthiophene-3-carboxamide
CID 141324975
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396

Frequently Asked Questions

What is the IUPAC name of 5-(butylaminomethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(butylaminomethyl)thiophene-3-carboxamide (CID 79606629) is 5-(butylaminomethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(butylaminomethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(butylaminomethyl)thiophene-3-carboxamide is CCCCNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-(butylaminomethyl)thiophene-3-carboxamide?
The InChIKey is VTOVEZZVGDSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-3-4-12-6-9-5-8(7-14-9)10(11)13/h5,7,12H,2-4,6H2,1H3,(H2,11,13).
What are the key properties of 5-(butylaminomethyl)thiophene-3-carboxamide?
5-(butylaminomethyl)thiophene-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylaminomethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79606629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).