N-(4-aminobutyl)-4-methylthiophene-3-carboxamide

C10H16N2OS — CID 79802509

IUPACN-(4-aminobutyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCCCCN
InChIInChI=1S/C10H16N2OS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11/h6-7H,2-5,11H2,1H3,(H,12,13)
InChIKeyRKZGAYNTWAHWBL-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.53
Rot. Bonds5

About N-(4-aminobutyl)-4-methylthiophene-3-carboxamide

N-(4-aminobutyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802509) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-methylthiophene-3-carboxamide
PubChem CID79802509
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(4-aminobutyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCCCCN
InChIInChI=1S/C10H16N2OS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11/h6-7H,2-5,11H2,1H3,(H,12,13)
InChIKeyRKZGAYNTWAHWBL-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.53
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

N-(4-chlorobutyl)-4-methylthiophene-3-carboxamide
CID 106845248
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
CID 114313291
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
N-methoxy-4-methylthiophene-3-carboxamide
CID 79777235
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
3-hydroxy-3-methyl-4-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 79802959

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-4-methylthiophene-3-carboxamide (CID 79802509) is N-(4-aminobutyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-4-methylthiophene-3-carboxamide?
The InChIKey is RKZGAYNTWAHWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-6-14-7-9(8)10(13)12-5-3-2-4-11/h6-7H,2-5,11H2,1H3,(H,12,13).
What are the key properties of N-(4-aminobutyl)-4-methylthiophene-3-carboxamide?
N-(4-aminobutyl)-4-methylthiophene-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).