N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide

C11H16N2OS — CID 71641161

IUPACN-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)[C@H]1CCNC1
InChIInChI=1S/C11H16N2OS/c1-13(10-2-4-12-7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,12H,2,4,6-7H2,1H3/t10-/m0/s1
InChIKeyZREBPVNTIDMJER-JTQLQIEISA-N
MW224.33 g/mol
LogP1.11
Rot. Bonds3

About N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide

N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 71641161) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
PubChem CID71641161
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)[C@H]1CCNC1
InChIInChI=1S/C11H16N2OS/c1-13(10-2-4-12-7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,12H,2,4,6-7H2,1H3/t10-/m0/s1
InChIKeyZREBPVNTIDMJER-JTQLQIEISA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436
N-methyl-N-piperidin-3-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641261
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide (CID 71641161) is N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide is CN(C(=O)Cc1ccsc1)[C@H]1CCNC1.
What is the InChIKey of N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is ZREBPVNTIDMJER-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(10-2-4-12-7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,12H,2,4,6-7H2,1H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide?
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 71641161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).