N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide

C11H16N2OS — CID 71644965

IUPACN-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1CCNC1
InChIInChI=1S/C11H16N2OS/c14-11(5-9-2-4-15-8-9)13-7-10-1-3-12-6-10/h2,4,8,10,12H,1,3,5-7H2,(H,13,14)
InChIKeyBSAPSXXHPWDFRW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.02
Rot. Bonds4

About N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide

N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 71644965) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
PubChem CID71644965
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1CCNC1
InChIInChI=1S/C11H16N2OS/c14-11(5-9-2-4-15-8-9)13-7-10-1-3-12-6-10/h2,4,8,10,12H,1,3,5-7H2,(H,13,14)
InChIKeyBSAPSXXHPWDFRW-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide (CID 71644965) is N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC1CCNC1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is BSAPSXXHPWDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(5-9-2-4-15-8-9)13-7-10-1-3-12-6-10/h2,4,8,10,12H,1,3,5-7H2,(H,13,14).
What are the key properties of N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide?
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 71644965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).