1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine

C9H16N2S — CID 57253267

IUPAC1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine
SMILESCC1CC(N2CCNCC2)=CS1
InChIInChI=1S/C9H16N2S/c1-8-6-9(7-12-8)11-4-2-10-3-5-11/h7-8,10H,2-6H2,1H3
InChIKeyWPDAZUOFUVKOEK-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.26
Rot. Bonds1

About 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine

1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine (PubChem CID 57253267) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine
PubChem CID57253267
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine
SMILESCC1CC(N2CCNCC2)=CS1
InChIInChI=1S/C9H16N2S/c1-8-6-9(7-12-8)11-4-2-10-3-5-11/h7-8,10H,2-6H2,1H3
InChIKeyWPDAZUOFUVKOEK-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethylsulfanyl-2,3-dihydrothiophen-4-yl)piperazine
CID 53774133
1-(2-Ethyl-2,3-dihydrothiophen-4-yl)piperazine
CID 57130705
3,3-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 68343965
2,5-Dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine
CID 70648151
(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 71091273
1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 89265369
(3S)-3-N-ethyl-5-methylsulfanylpent-1-ene-2,3-diamine
CID 117692255
5-ethylsulfanyl-3-N-propan-2-ylpent-1-ene-2,3-diamine
CID 166808544
3-Thiomorpholin-2-ylprop-1-en-2-amine
CID 173346815
N-methyl-N-(thiomorpholin-3-ylmethyl)pent-4-en-1-amine
CID 116303097

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine?
The IUPAC name of 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine (CID 57253267) is 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine.
What is the SMILES notation for 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine?
The canonical SMILES for 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine is CC1CC(N2CCNCC2)=CS1.
What is the InChIKey of 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine?
The InChIKey is WPDAZUOFUVKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-8-6-9(7-12-8)11-4-2-10-3-5-11/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine?
1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine has a molecular weight of 184.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydrothiophen-4-yl)piperazine is sourced from PubChem (CID 57253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).