N-pyridin-3-ylcyclopentanecarbothioamide

C11H14N2S — CID 88634071

IUPACN-pyridin-3-ylcyclopentanecarbothioamide
SMILESS=C(Nc1cccnc1)C1CCCC1
InChIInChI=1S/C11H14N2S/c14-11(9-4-1-2-5-9)13-10-6-3-7-12-8-10/h3,6-9H,1-2,4-5H2,(H,13,14)
InChIKeyWZWXKAGZDNZQOI-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.01
Rot. Bonds2

About N-pyridin-3-ylcyclopentanecarbothioamide

N-pyridin-3-ylcyclopentanecarbothioamide (PubChem CID 88634071) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-pyridin-3-ylcyclopentanecarbothioamide.

Molecular Properties

Compound NameN-pyridin-3-ylcyclopentanecarbothioamide
PubChem CID88634071
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-pyridin-3-ylcyclopentanecarbothioamide
SMILESS=C(Nc1cccnc1)C1CCCC1
InChIInChI=1S/C11H14N2S/c14-11(9-4-1-2-5-9)13-10-6-3-7-12-8-10/h3,6-9H,1-2,4-5H2,(H,13,14)
InChIKeyWZWXKAGZDNZQOI-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.01
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

2-cyclopentyl-N-pyridin-3-ylethanethioamide
CID 142471330
pyridin-3-ylthiourea
CID 2760515
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
molecular hydrogen;N-pyridin-3-ylethanethioamide
CID 143306027
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
1-[3-(2-ethylpiperidin-1-yl)propyl]-3-pyridin-3-ylthiourea
CID 133154592
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
N-cyclopropylpyridin-3-amine
CID 11297993
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylcyclopentanecarbothioamide?
The IUPAC name of N-pyridin-3-ylcyclopentanecarbothioamide (CID 88634071) is N-pyridin-3-ylcyclopentanecarbothioamide.
What is the SMILES notation for N-pyridin-3-ylcyclopentanecarbothioamide?
The canonical SMILES for N-pyridin-3-ylcyclopentanecarbothioamide is S=C(Nc1cccnc1)C1CCCC1.
What is the InChIKey of N-pyridin-3-ylcyclopentanecarbothioamide?
The InChIKey is WZWXKAGZDNZQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c14-11(9-4-1-2-5-9)13-10-6-3-7-12-8-10/h3,6-9H,1-2,4-5H2,(H,13,14).
What are the key properties of N-pyridin-3-ylcyclopentanecarbothioamide?
N-pyridin-3-ylcyclopentanecarbothioamide has a molecular weight of 206.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylcyclopentanecarbothioamide is sourced from PubChem (CID 88634071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).