N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide

C11H13ClN2OS — CID 103745323

IUPACN-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCS2)cnc1Cl
InChIInChI=1S/C11H13ClN2OS/c1-7-5-8(6-13-10(7)12)14-11(15)9-3-2-4-16-9/h5-6,9H,2-4H2,1H3,(H,14,15)
InChIKeyHTNNGODAWJJQLF-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.88
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide (PubChem CID 103745323) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
PubChem CID103745323
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCS2)cnc1Cl
InChIInChI=1S/C11H13ClN2OS/c1-7-5-8(6-13-10(7)12)14-11(15)9-3-2-4-16-9/h5-6,9H,2-4H2,1H3,(H,14,15)
InChIKeyHTNNGODAWJJQLF-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide (CID 103745323) is N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide is Cc1cc(NC(=O)C2CCCS2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide?
The InChIKey is HTNNGODAWJJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-5-8(6-13-10(7)12)14-11(15)9-3-2-4-16-9/h5-6,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide has a molecular weight of 256.76 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide is sourced from PubChem (CID 103745323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).