2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide

C14H26N2OS — CID 114123170

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
SMILESCCSC1CCC(NC(=O)CC2(CN)CCC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-18-12-5-4-11(8-12)16-13(17)9-14(10-15)6-3-7-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyJZQMOIOOUYYUAX-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.30
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide (PubChem CID 114123170) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
PubChem CID114123170
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
SMILESCCSC1CCC(NC(=O)CC2(CN)CCC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-18-12-5-4-11(8-12)16-13(17)9-14(10-15)6-3-7-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyJZQMOIOOUYYUAX-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide 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 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide (CID 114123170) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide is CCSC1CCC(NC(=O)CC2(CN)CCC2)C1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide?
The InChIKey is JZQMOIOOUYYUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-18-12-5-4-11(8-12)16-13(17)9-14(10-15)6-3-7-14/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide is sourced from PubChem (CID 114123170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).