N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide

C15H20N2OS — CID 113402624

IUPACN-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CC2CSc3ccccc32)C1
InChIInChI=1S/C15H20N2OS/c1-11(18)16-13-6-7-17(9-13)8-12-10-19-15-5-3-2-4-14(12)15/h2-5,12-13H,6-10H2,1H3,(H,16,18)
InChIKeyKEJGLXYXZLFMDH-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.09
Rot. Bonds3

About N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide

N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 113402624) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID113402624
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CC2CSc3ccccc32)C1
InChIInChI=1S/C15H20N2OS/c1-11(18)16-13-6-7-17(9-13)8-12-10-19-15-5-3-2-4-14(12)15/h2-5,12-13H,6-10H2,1H3,(H,16,18)
InChIKeyKEJGLXYXZLFMDH-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-ol
CID 79221764
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 79318724
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,N-diethylpyrrolidin-3-amine
CID 79315327
ethyl 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine-3-carboxylate
CID 79214896
3-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-4-yl]propanoic acid
CID 79215688
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine
CID 79314899
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
CID 79319858
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepane
CID 79226076
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylsulfanylazepane
CID 114237826
1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538840
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097432

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide (CID 113402624) is N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(CC2CSc3ccccc32)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is KEJGLXYXZLFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(18)16-13-6-7-17(9-13)8-12-10-19-15-5-3-2-4-14(12)15/h2-5,12-13H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 276.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).