N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide

C15H21NOS — CID 110865038

IUPACN-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
SMILESCCN(C(=O)C1CCCSC1)c1cccc(C)c1
InChIInChI=1S/C15H21NOS/c1-3-16(14-8-4-6-12(2)10-14)15(17)13-7-5-9-18-11-13/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3
InChIKeyQDZOQQXBJYJFRD-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.49
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide

N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide (PubChem CID 110865038) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
PubChem CID110865038
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
SMILESCCN(C(=O)C1CCCSC1)c1cccc(C)c1
InChIInChI=1S/C15H21NOS/c1-3-16(14-8-4-6-12(2)10-14)15(17)13-7-5-9-18-11-13/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3
InChIKeyQDZOQQXBJYJFRD-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide (CID 110865038) is N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide is CCN(C(=O)C1CCCSC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide?
The InChIKey is QDZOQQXBJYJFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-16(14-8-4-6-12(2)10-14)15(17)13-7-5-9-18-11-13/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide?
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide has a molecular weight of 263.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide is sourced from PubChem (CID 110865038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).