4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide

C11H18N2OS — CID 61090653

IUPAC4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(C)C)cc1N
InChIInChI=1S/C11H18N2OS/c1-7(2)4-5-13-11(14)10-6-9(12)8(3)15-10/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKeySOIKIZXNQJPBPL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.41
Rot. Bonds4

About 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide

4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 61090653) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
PubChem CID61090653
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(C)C)cc1N
InChIInChI=1S/C11H18N2OS/c1-7(2)4-5-13-11(14)10-6-9(12)8(3)15-10/h6-7H,4-5,12H2,1-3H3,(H,13,14)
InChIKeySOIKIZXNQJPBPL-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 114173699
4-amino-N-[2-(2-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61093123
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
CID 107819621
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]thiophene-2-carboxamide
CID 61113294

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide (CID 61090653) is 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCCC(C)C)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is SOIKIZXNQJPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(2)4-5-13-11(14)10-6-9(12)8(3)15-10/h6-7H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 61090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).