5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide

C12H20N2OS — CID 79613545

IUPAC5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
SMILESCC(C)C(C)CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C12H20N2OS/c1-8(2)9(3)5-14-6-11-4-10(7-16-11)12(13)15/h4,7-9,14H,5-6H2,1-3H3,(H2,13,15)
InChIKeySTZCFIGSVXCDCN-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds6

About 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide

5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide (PubChem CID 79613545) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
PubChem CID79613545
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
SMILESCC(C)C(C)CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C12H20N2OS/c1-8(2)9(3)5-14-6-11-4-10(7-16-11)12(13)15/h4,7-9,14H,5-6H2,1-3H3,(H2,13,15)
InChIKeySTZCFIGSVXCDCN-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
CID 79613485
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735684

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide (CID 79613545) is 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide is CC(C)C(C)CNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide?
The InChIKey is STZCFIGSVXCDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)9(3)5-14-6-11-4-10(7-16-11)12(13)15/h4,7-9,14H,5-6H2,1-3H3,(H2,13,15).
What are the key properties of 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide?
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).