3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide

C13H16INOS — CID 103708502

IUPAC3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2cccc(I)c2)C1
InChIInChI=1S/C13H16INOS/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,16)
InChIKeyUYKARCQCHLQUBX-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.31
Rot. Bonds3

About 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide

3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 103708502) has the molecular formula C13H16INOS and a molecular weight of 361.25 g/mol. Its IUPAC name is 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID103708502
Molecular FormulaC13H16INOS
Molecular Weight361.25 g/mol
Exact Mass361.00
IUPAC Name3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2cccc(I)c2)C1
InChIInChI=1S/C13H16INOS/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,16)
InChIKeyUYKARCQCHLQUBX-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 7332918
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
N-[(1S,3S)-3-methylsulfanylcyclohexyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 95770973
N-ethyl-3-[[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111528638
3-[[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111528484

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide (CID 103708502) is 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(NC(=O)c2cccc(I)c2)C1.
What is the InChIKey of 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is UYKARCQCHLQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INOS/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide?
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 361.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 103708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).