N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide

C13H18N2OS — CID 110852600

IUPACN-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCSC1
InChIInChI=1S/C13H18N2OS/c1-15(13(16)12-5-9-17-10-12)8-4-11-2-6-14-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyMUMXWHFGFXASJA-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide (PubChem CID 110852600) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
PubChem CID110852600
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCSC1
InChIInChI=1S/C13H18N2OS/c1-15(13(16)12-5-9-17-10-12)8-4-11-2-6-14-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyMUMXWHFGFXASJA-UHFFFAOYSA-N
XLogP1.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 72671555
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
CID 75261208
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide (CID 110852600) is N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide is CN(CCc1ccncc1)C(=O)C1CCSC1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide?
The InChIKey is MUMXWHFGFXASJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15(13(16)12-5-9-17-10-12)8-4-11-2-6-14-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide is sourced from PubChem (CID 110852600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).