1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide

C16H24N2OS — CID 79582691

IUPAC1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESCc1ccccc1CSCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C16H24N2OS/c1-12-5-2-3-6-13(12)11-20-10-8-14-7-4-9-16(14,18)15(17)19/h2-3,5-6,14H,4,7-11,18H2,1H3,(H2,17,19)
InChIKeyRZTGOPHRPRLKNO-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.60
Rot. Bonds6

About 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 79582691) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
PubChem CID79582691
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESCc1ccccc1CSCCC1CCCC1(N)C(N)=O
InChIInChI=1S/C16H24N2OS/c1-12-5-2-3-6-13(12)11-20-10-8-14-7-4-9-16(14,18)15(17)19/h2-3,5-6,14H,4,7-11,18H2,1H3,(H2,17,19)
InChIKeyRZTGOPHRPRLKNO-UHFFFAOYSA-N
XLogP2.60
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide 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

1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
CID 79587898
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 103289705
1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587862
1-amino-2-[2-(2-nitrophenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79587386
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
CID 79564083
1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582299
1-amino-2-[2-(2-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586489
1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide
CID 79572541

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide (CID 79582691) is 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide is Cc1ccccc1CSCCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is RZTGOPHRPRLKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-5-2-3-6-13(12)11-20-10-8-14-7-4-9-16(14,18)15(17)19/h2-3,5-6,14H,4,7-11,18H2,1H3,(H2,17,19).
What are the key properties of 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79582691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).