N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide

C11H18N2OS — CID 65239032

IUPACN-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCC(C)N)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-6-10(15-9(7)3)11(14)13-5-4-8(2)12/h6,8H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyKDGSHUZGGPJHSA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.83
Rot. Bonds4

About N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65239032) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65239032
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCC(C)N)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-6-10(15-9(7)3)11(14)13-5-4-8(2)12/h6,8H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyKDGSHUZGGPJHSA-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide (CID 65239032) is N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCCC(C)N)sc1C.
What is the InChIKey of N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is KDGSHUZGGPJHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-6-10(15-9(7)3)11(14)13-5-4-8(2)12/h6,8H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65239032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).