1-(2H-thiet-2-yl)piperazine

C7H12N2S — CID 139929127

IUPAC1-(2H-thiet-2-yl)piperazine
SMILESC1=CC(N2CCNCC2)S1
InChIInChI=1S/C7H12N2S/c1-6-10-7(1)9-4-2-8-3-5-9/h1,6-8H,2-5H2
InChIKeyHJHTURXMMDFZQK-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.48
Rot. Bonds1

About 1-(2H-thiet-2-yl)piperazine

1-(2H-thiet-2-yl)piperazine (PubChem CID 139929127) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(2H-thiet-2-yl)piperazine.

Molecular Properties

Compound Name1-(2H-thiet-2-yl)piperazine
PubChem CID139929127
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-(2H-thiet-2-yl)piperazine
SMILESC1=CC(N2CCNCC2)S1
InChIInChI=1S/C7H12N2S/c1-6-10-7(1)9-4-2-8-3-5-9/h1,6-8H,2-5H2
InChIKeyHJHTURXMMDFZQK-UHFFFAOYSA-N
XLogP0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Prop-2-enylthiomorpholin-4-ium
CID 52141751
1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
3,4-dihydro-2-piperazinomethyl-2H-(1,3)-thiazine
CID 131712935
Prop-2-enyl piperazine-1-carbodithioate
CID 153529787
3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine
CID 154092502
N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 62574529
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053
(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
CID 106325116
2-(4-methylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427519
1-(2-Prop-2-enylsulfanylethyl)piperazine
CID 106429747
N-[2-(2-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 116321188

Frequently Asked Questions

What is the IUPAC name of 1-(2H-thiet-2-yl)piperazine?
The IUPAC name of 1-(2H-thiet-2-yl)piperazine (CID 139929127) is 1-(2H-thiet-2-yl)piperazine.
What is the SMILES notation for 1-(2H-thiet-2-yl)piperazine?
The canonical SMILES for 1-(2H-thiet-2-yl)piperazine is C1=CC(N2CCNCC2)S1.
What is the InChIKey of 1-(2H-thiet-2-yl)piperazine?
The InChIKey is HJHTURXMMDFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6-10-7(1)9-4-2-8-3-5-9/h1,6-8H,2-5H2.
What are the key properties of 1-(2H-thiet-2-yl)piperazine?
1-(2H-thiet-2-yl)piperazine has a molecular weight of 156.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-thiet-2-yl)piperazine is sourced from PubChem (CID 139929127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).