2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

C14H20N2OS — CID 83080247

IUPAC2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(SC)c2)CCCN1
InChIInChI=1S/C14H20N2OS/c1-3-14(8-5-9-15-14)13(17)16-11-6-4-7-12(10-11)18-2/h4,6-7,10,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyQWLNBKCOXBJMIA-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.88
Rot. Bonds4

About 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide (PubChem CID 83080247) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
PubChem CID83080247
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(SC)c2)CCCN1
InChIInChI=1S/C14H20N2OS/c1-3-14(8-5-9-15-14)13(17)16-11-6-4-7-12(10-11)18-2/h4,6-7,10,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyQWLNBKCOXBJMIA-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 126793937
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide (CID 83080247) is 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cccc(SC)c2)CCCN1.
What is the InChIKey of 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QWLNBKCOXBJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-14(8-5-9-15-14)13(17)16-11-6-4-7-12(10-11)18-2/h4,6-7,10,15H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83080247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).