2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide

C14H24N2OS — CID 43174820

IUPAC2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
SMILESCCCCCCc1sc(N)c(C(=O)N(C)C)c1C
InChIInChI=1S/C14H24N2OS/c1-5-6-7-8-9-11-10(2)12(13(15)18-11)14(17)16(3)4/h5-9,15H2,1-4H3
InChIKeyBIFJKSSDHHZKIN-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.46
Rot. Bonds6

About 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide

2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide (PubChem CID 43174820) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
PubChem CID43174820
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
SMILESCCCCCCc1sc(N)c(C(=O)N(C)C)c1C
InChIInChI=1S/C14H24N2OS/c1-5-6-7-8-9-11-10(2)12(13(15)18-11)14(17)16(3)4/h5-9,15H2,1-4H3
InChIKeyBIFJKSSDHHZKIN-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006756
methyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006766
2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
CID 43367182
2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
CID 43367155
(2-amino-4-methyl-5-pentylthiophen-3-yl)-phenylmethanone
CID 65355046
methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
2-bromo-5-hexyl-4-methylthiophen-3-amine
CID 114749215
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
ethyl 2-amino-5-methyl-4-pentylthiophene-3-carboxylate
CID 68514923
methyl 2-amino-5-pentyl-4-phenylthiophene-3-carboxylate
CID 71668939
ethyl 5-(dimethylcarbamoyl)-2-(heptanoylamino)-4-methylthiophene-3-carboxylate
CID 5191754

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide (CID 43174820) is 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide is CCCCCCc1sc(N)c(C(=O)N(C)C)c1C.
What is the InChIKey of 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide?
The InChIKey is BIFJKSSDHHZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-6-7-8-9-11-10(2)12(13(15)18-11)14(17)16(3)4/h5-9,15H2,1-4H3.
What are the key properties of 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide?
2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 43174820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).