N-(2,4-dimethylphenyl)thiolane-2-carboxamide

C13H17NOS — CID 110857194

IUPACN-(2,4-dimethylphenyl)thiolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCS2)c(C)c1
InChIInChI=1S/C13H17NOS/c1-9-5-6-11(10(2)8-9)14-13(15)12-4-3-7-16-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyHUCSOKNFOKBWNJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.14
Rot. Bonds2

About N-(2,4-dimethylphenyl)thiolane-2-carboxamide

N-(2,4-dimethylphenyl)thiolane-2-carboxamide (PubChem CID 110857194) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)thiolane-2-carboxamide
PubChem CID110857194
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(2,4-dimethylphenyl)thiolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCS2)c(C)c1
InChIInChI=1S/C13H17NOS/c1-9-5-6-11(10(2)8-9)14-13(15)12-4-3-7-16-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyHUCSOKNFOKBWNJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]thiolane-2-carboxamide
CID 82766126
N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
CID 64795110
N-(2-amino-4,5-dimethylphenyl)thiane-2-carboxamide
CID 80594405
N-(4-bromo-2,6-dimethylphenyl)thiolane-2-carboxamide
CID 65499513
N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
CID 110865134
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368842
N-[(4-methylphenyl)methyl]thiolane-2-carboxamide
CID 110850879
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)thiolane-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)thiolane-2-carboxamide (CID 110857194) is N-(2,4-dimethylphenyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)thiolane-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)thiolane-2-carboxamide is Cc1ccc(NC(=O)C2CCCS2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)thiolane-2-carboxamide?
The InChIKey is HUCSOKNFOKBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-5-6-11(10(2)8-9)14-13(15)12-4-3-7-16-12/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2,4-dimethylphenyl)thiolane-2-carboxamide?
N-(2,4-dimethylphenyl)thiolane-2-carboxamide has a molecular weight of 235.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)thiolane-2-carboxamide is sourced from PubChem (CID 110857194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).