6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide

C15H21N3S — CID 64588249

IUPAC6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H21N3S/c16-15(19)12-7-3-9-14(17-12)18-10-4-8-13(18)11-5-1-2-6-11/h3,7,9,11,13H,1-2,4-6,8,10H2,(H2,16,19)
InChIKeyMSNNVRBDARSMBP-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.87
Rot. Bonds3

About 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide

6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide (PubChem CID 64588249) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide
PubChem CID64588249
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C15H21N3S/c16-15(19)12-7-3-9-14(17-12)18-10-4-8-13(18)11-5-1-2-6-11/h3,7,9,11,13H,1-2,4-6,8,10H2,(H2,16,19)
InChIKeyMSNNVRBDARSMBP-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide (CID 64588249) is 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide is NC(=S)c1cccc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide?
The InChIKey is MSNNVRBDARSMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c16-15(19)12-7-3-9-14(17-12)18-10-4-8-13(18)11-5-1-2-6-11/h3,7,9,11,13H,1-2,4-6,8,10H2,(H2,16,19).
What are the key properties of 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide?
6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide has a molecular weight of 275.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylpyrrolidin-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 64588249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).