2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

C14H20N2OS — CID 114122249

IUPAC2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2cc(C)ccc2N)C1
InChIInChI=1S/C14H20N2OS/c1-9-3-6-13(15)12(7-9)14(17)16-10-4-5-11(8-10)18-2/h3,6-7,10-11H,4-5,8,15H2,1-2H3,(H,16,17)
InChIKeyPIZKHVZOUXVNLN-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 114122249) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID114122249
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2cc(C)ccc2N)C1
InChIInChI=1S/C14H20N2OS/c1-9-3-6-13(15)12(7-9)14(17)16-10-4-5-11(8-10)18-2/h3,6-7,10-11H,4-5,8,15H2,1-2H3,(H,16,17)
InChIKeyPIZKHVZOUXVNLN-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
CID 99815703
2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114124028
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
tert-butyl 4-[(2-amino-5-methylbenzoyl)amino]piperidine-1-carboxylate
CID 126455593
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
2-bromo-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 106547462

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (CID 114122249) is 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(NC(=O)c2cc(C)ccc2N)C1.
What is the InChIKey of 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is PIZKHVZOUXVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-3-6-13(15)12(7-9)14(17)16-10-4-5-11(8-10)18-2/h3,6-7,10-11H,4-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 114122249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).