N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C13H20N2OS — CID 79389328

IUPACN-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1CCNC1C
InChIInChI=1S/C13H20N2OS/c1-3-15(9-11-5-4-8-17-11)13(16)12-6-7-14-10(12)2/h4-5,8,10,12,14H,3,6-7,9H2,1-2H3
InChIKeyNHSCEMVFBKSPBG-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 79389328) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID79389328
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1CCNC1C
InChIInChI=1S/C13H20N2OS/c1-3-15(9-11-5-4-8-17-11)13(16)12-6-7-14-10(12)2/h4-5,8,10,12,14H,3,6-7,9H2,1-2H3
InChIKeyNHSCEMVFBKSPBG-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide
CID 79389175
N-ethyl-4-(ethylamino)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66257715
N-ethyl-2-(4-methylcyclohexyl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 90228031
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 79385001
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 79389328) is N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CCN(Cc1cccs1)C(=O)C1CCNC1C.
What is the InChIKey of N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NHSCEMVFBKSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-15(9-11-5-4-8-17-11)13(16)12-6-7-14-10(12)2/h4-5,8,10,12,14H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79389328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).