1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine

C11H20N2S — CID 163907024

IUPAC1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine
SMILESC1=CSC(CCCN2CCNCC2)C1
InChIInChI=1S/C11H20N2S/c1(3-11-4-2-10-14-11)7-13-8-5-12-6-9-13/h2,10-12H,1,3-9H2
InChIKeyQOURZSNJXQKALN-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.69
Rot. Bonds4

About 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine

1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine (PubChem CID 163907024) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine
PubChem CID163907024
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine
SMILESC1=CSC(CCCN2CCNCC2)C1
InChIInChI=1S/C11H20N2S/c1(3-11-4-2-10-14-11)7-13-8-5-12-6-9-13/h2,10-12H,1,3-9H2
InChIKeyQOURZSNJXQKALN-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethyl-2,3-dihydrothiophen-4-yl)piperazine
CID 57130705
1-[2-(2,3-Dihydrothiophen-2-yl)ethyl]-4-methylpiperazine
CID 68261670
1-(2,3-Dihydrothiophen-2-yl)piperazine
CID 68956121
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
1-[2-(2,3-Dihydrothiophen-2-yl)ethyl]-4-iodopiperazine
CID 89272170
1-[3-(2,3-Dihydrothiophen-5-yl)propyl]piperazine
CID 164033012
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
N-(thian-2-ylmethyl)pent-4-en-1-amine
CID 80600811
3-But-3-enylsulfanylpiperidine
CID 84755048
1-(4-Methylthiomorpholin-3-yl)but-3-en-1-amine
CID 103595865
N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine
CID 104582421
N-(2-thiomorpholin-4-ylethyl)but-3-en-1-amine
CID 106325115

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine?
The IUPAC name of 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine (CID 163907024) is 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine.
What is the SMILES notation for 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine?
The canonical SMILES for 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine is C1=CSC(CCCN2CCNCC2)C1.
What is the InChIKey of 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine?
The InChIKey is QOURZSNJXQKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1(3-11-4-2-10-14-11)7-13-8-5-12-6-9-13/h2,10-12H,1,3-9H2.
What are the key properties of 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine?
1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine has a molecular weight of 212.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydrothiophen-2-yl)propyl]piperazine is sourced from PubChem (CID 163907024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).