2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide

C11H17N3OS — CID 80993806

IUPAC2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(C)CCCS1
InChIInChI=1S/C11H17N3OS/c1-8-9(7-13-14-8)6-12-10(15)11(2)4-3-5-16-11/h7H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNPZPYJWJATZXGF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide (PubChem CID 80993806) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide
PubChem CID80993806
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(C)CCCS1
InChIInChI=1S/C11H17N3OS/c1-8-9(7-13-14-8)6-12-10(15)11(2)4-3-5-16-11/h7H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNPZPYJWJATZXGF-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide (CID 80993806) is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide is Cc1[nH]ncc1CNC(=O)C1(C)CCCS1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide?
The InChIKey is NPZPYJWJATZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-9(7-13-14-8)6-12-10(15)11(2)4-3-5-16-11/h7H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide?
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolane-2-carboxamide is sourced from PubChem (CID 80993806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).