N-(4-methoxyphenyl)thiolane-2-carboxamide

C12H15NO2S — CID 110860067

IUPACN-(4-methoxyphenyl)thiolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCS2)cc1
InChIInChI=1S/C12H15NO2S/c1-15-10-6-4-9(5-7-10)13-12(14)11-3-2-8-16-11/h4-7,11H,2-3,8H2,1H3,(H,13,14)
InChIKeyJYLAFNWDMZSTTD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.53
Rot. Bonds3

About N-(4-methoxyphenyl)thiolane-2-carboxamide

N-(4-methoxyphenyl)thiolane-2-carboxamide (PubChem CID 110860067) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)thiolane-2-carboxamide
PubChem CID110860067
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-(4-methoxyphenyl)thiolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCS2)cc1
InChIInChI=1S/C12H15NO2S/c1-15-10-6-4-9(5-7-10)13-12(14)11-3-2-8-16-11/h4-7,11H,2-3,8H2,1H3,(H,13,14)
InChIKeyJYLAFNWDMZSTTD-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)thiolane-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)thiolane-2-carboxamide (CID 110860067) is N-(4-methoxyphenyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)thiolane-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)thiolane-2-carboxamide is COc1ccc(NC(=O)C2CCCS2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)thiolane-2-carboxamide?
The InChIKey is JYLAFNWDMZSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-15-10-6-4-9(5-7-10)13-12(14)11-3-2-8-16-11/h4-7,11H,2-3,8H2,1H3,(H,13,14).
What are the key properties of N-(4-methoxyphenyl)thiolane-2-carboxamide?
N-(4-methoxyphenyl)thiolane-2-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)thiolane-2-carboxamide is sourced from PubChem (CID 110860067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).