1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide

C14H26N2S — CID 82120203

IUPAC1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide
SMILESCCC1CCCCN1CC1(C(N)=S)CCCC1
InChIInChI=1S/C14H26N2S/c1-2-12-7-3-6-10-16(12)11-14(13(15)17)8-4-5-9-14/h12H,2-11H2,1H3,(H2,15,17)
InChIKeyOPTSIMQASVZHMJ-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.10
Rot. Bonds4

About 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide

1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide (PubChem CID 82120203) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide
PubChem CID82120203
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide
SMILESCCC1CCCCN1CC1(C(N)=S)CCCC1
InChIInChI=1S/C14H26N2S/c1-2-12-7-3-6-10-16(12)11-14(13(15)17)8-4-5-9-14/h12H,2-11H2,1H3,(H2,15,17)
InChIKeyOPTSIMQASVZHMJ-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide 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-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine
CID 104690395
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82767473
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
1,2-diethylpiperidine
CID 19604037
2-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122677
2-ethyl-1-[(3-methylpiperidin-3-yl)methyl]piperidine
CID 63132783
2-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]azepane;hydrochloride
CID 120900766
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976477
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
5-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865483
[1-[2-(2-ethylpiperidin-1-yl)ethyl]cyclohexyl]methanamine
CID 113440222
5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 104692099

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide?
The IUPAC name of 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide (CID 82120203) is 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide?
The canonical SMILES for 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide is CCC1CCCCN1CC1(C(N)=S)CCCC1.
What is the InChIKey of 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide?
The InChIKey is OPTSIMQASVZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-2-12-7-3-6-10-16(12)11-14(13(15)17)8-4-5-9-14/h12H,2-11H2,1H3,(H2,15,17).
What are the key properties of 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide?
1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide has a molecular weight of 254.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpiperidin-1-yl)methyl]cyclopentane-1-carbothioamide is sourced from PubChem (CID 82120203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).