1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone

C11H15NOS2 — CID 3240804

IUPAC1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1cccs1)N1CCCC1
InChIInChI=1S/C11H15NOS2/c13-11(12-5-1-2-6-12)9-14-8-10-4-3-7-15-10/h3-4,7H,1-2,5-6,8-9H2
InChIKeyDWWUIBMIXJITBI-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.60
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone

1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone (PubChem CID 3240804) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone
PubChem CID3240804
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1cccs1)N1CCCC1
InChIInChI=1S/C11H15NOS2/c13-11(12-5-1-2-6-12)9-14-8-10-4-3-7-15-10/h3-4,7H,1-2,5-6,8-9H2
InChIKeyDWWUIBMIXJITBI-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone (CID 3240804) is 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone is O=C(CSCc1cccs1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone?
The InChIKey is DWWUIBMIXJITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c13-11(12-5-1-2-6-12)9-14-8-10-4-3-7-15-10/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone?
1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone has a molecular weight of 241.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(thiophen-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 3240804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).