N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide

C11H16N2OS — CID 115159253

IUPACN-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccsc1N(C)C(=O)C1CCCN1
InChIInChI=1S/C11H16N2OS/c1-8-5-7-15-11(8)13(2)10(14)9-4-3-6-12-9/h5,7,9,12H,3-4,6H2,1-2H3
InChIKeyDVJJZDUDSVZIPP-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.77
Rot. Bonds2

About N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide

N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide (PubChem CID 115159253) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
PubChem CID115159253
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCc1ccsc1N(C)C(=O)C1CCCN1
InChIInChI=1S/C11H16N2OS/c1-8-5-7-15-11(8)13(2)10(14)9-4-3-6-12-9/h5,7,9,12H,3-4,6H2,1-2H3
InChIKeyDVJJZDUDSVZIPP-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 115159325
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
N-(4-cyclopropylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 175979802
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 115159245
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628597

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide (CID 115159253) is N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide is Cc1ccsc1N(C)C(=O)C1CCCN1.
What is the InChIKey of N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is DVJJZDUDSVZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-7-15-11(8)13(2)10(14)9-4-3-6-12-9/h5,7,9,12H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide?
N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115159253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).