N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide

C12H18N2OS — CID 119551706

IUPACN-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)N(C)C1CCNC1)c1cccs1
InChIInChI=1S/C12H18N2OS/c1-9(11-4-3-7-16-11)12(15)14(2)10-5-6-13-8-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3
InChIKeyCLRNHNWRHUGXJL-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide

N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide (PubChem CID 119551706) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
PubChem CID119551706
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)N(C)C1CCNC1)c1cccs1
InChIInChI=1S/C12H18N2OS/c1-9(11-4-3-7-16-11)12(15)14(2)10-5-6-13-8-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3
InChIKeyCLRNHNWRHUGXJL-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N,2-dimethyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119553530
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741
N-piperidin-4-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119387503
N-methyl-2-piperidin-3-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 62674552
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607
N-methyl-N-thiophen-2-ylpyrrolidin-3-amine
CID 115118676
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129008069

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide (CID 119551706) is N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide is CC(C(=O)N(C)C1CCNC1)c1cccs1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide?
The InChIKey is CLRNHNWRHUGXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(11-4-3-7-16-11)12(15)14(2)10-5-6-13-8-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide?
N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide has a molecular weight of 238.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 119551706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).