N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide

C13H22N2OS — CID 61067131

IUPACN-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCc1ccc(C)s1
InChIInChI=1S/C13H22N2OS/c1-4-5-8-14-13(16)11(3)15-9-12-7-6-10(2)17-12/h6-7,11,15H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyCRXYGGYINQIHEA-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.45
Rot. Bonds7

About N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide

N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide (PubChem CID 61067131) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
PubChem CID61067131
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
SMILESCCCCNC(=O)C(C)NCc1ccc(C)s1
InChIInChI=1S/C13H22N2OS/c1-4-5-8-14-13(16)11(3)15-9-12-7-6-10(2)17-12/h6-7,11,15H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyCRXYGGYINQIHEA-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide (CID 61067131) is N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide is CCCCNC(=O)C(C)NCc1ccc(C)s1.
What is the InChIKey of N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
The InChIKey is CRXYGGYINQIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-5-8-14-13(16)11(3)15-9-12-7-6-10(2)17-12/h6-7,11,15H,4-5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide?
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 61067131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).