N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C12H18N2OS — CID 79388890

IUPACN,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)Cc1cccs1
InChIInChI=1S/C12H18N2OS/c1-9-11(5-6-13-9)12(15)14(2)8-10-4-3-7-16-10/h3-4,7,9,11,13H,5-6,8H2,1-2H3
InChIKeyDUEHVRUJLIYWDO-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.70
Rot. Bonds3

About N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 79388890) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID79388890
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)Cc1cccs1
InChIInChI=1S/C12H18N2OS/c1-9-11(5-6-13-9)12(15)14(2)8-10-4-3-7-16-10/h3-4,7,9,11,13H,5-6,8H2,1-2H3
InChIKeyDUEHVRUJLIYWDO-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79389328
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79379133
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388637
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 79388890) is N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(C)Cc1cccs1.
What is the InChIKey of N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DUEHVRUJLIYWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-11(5-6-13-9)12(15)14(2)8-10-4-3-7-16-10/h3-4,7,9,11,13H,5-6,8H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).