2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide

C14H19NOS — CID 82087243

IUPAC2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
SMILESCOc1ccccc1C(C(N)=S)C1CCCC1
InChIInChI=1S/C14H19NOS/c1-16-12-9-5-4-8-11(12)13(14(15)17)10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,15,17)
InChIKeyKCVZOPNCVZGZIN-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.26
Rot. Bonds4

About 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide

2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide (PubChem CID 82087243) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
PubChem CID82087243
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
SMILESCOc1ccccc1C(C(N)=S)C1CCCC1
InChIInChI=1S/C14H19NOS/c1-16-12-9-5-4-8-11(12)13(14(15)17)10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,15,17)
InChIKeyKCVZOPNCVZGZIN-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749272
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
1-[cyclopentyl(methyliodanuidyl)methyl]-2-methoxybenzene
CID 171097752
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide?
The IUPAC name of 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide (CID 82087243) is 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide?
The canonical SMILES for 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide is COc1ccccc1C(C(N)=S)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide?
The InChIKey is KCVZOPNCVZGZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-16-12-9-5-4-8-11(12)13(14(15)17)10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,15,17).
What are the key properties of 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide?
2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide has a molecular weight of 249.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide is sourced from PubChem (CID 82087243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).