N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide

C12H24N2OS — CID 119565662

IUPACN-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
SMILESCSCCCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C12H24N2OS/c1-16-9-5-2-6-11(15)14-12(10-13)7-3-4-8-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyREULKJVMAFGNJM-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.91
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide

N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide (PubChem CID 119565662) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
PubChem CID119565662
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
SMILESCSCCCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C12H24N2OS/c1-16-9-5-2-6-11(15)14-12(10-13)7-3-4-8-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyREULKJVMAFGNJM-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
CID 119568512
N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119566129
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
CID 119566629
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
6-amino-N-[1-(hydroxymethyl)cyclohexyl]hexanamide
CID 55086608
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide (CID 119565662) is N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide is CSCCCCC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide?
The InChIKey is REULKJVMAFGNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-16-9-5-2-6-11(15)14-12(10-13)7-3-4-8-12/h2-10,13H2,1H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide?
N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide has a molecular weight of 244.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide is sourced from PubChem (CID 119565662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).