2-methylsulfanyl-1-piperazin-1-ylethanone

C7H14N2OS — CID 28776598

IUPAC2-methylsulfanyl-1-piperazin-1-ylethanone
SMILESCSCC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2OS/c1-11-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKeyYRUKQBNTWXFUBV-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.22
Rot. Bonds2

About 2-methylsulfanyl-1-piperazin-1-ylethanone

2-methylsulfanyl-1-piperazin-1-ylethanone (PubChem CID 28776598) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-methylsulfanyl-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-piperazin-1-ylethanone
PubChem CID28776598
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-methylsulfanyl-1-piperazin-1-ylethanone
SMILESCSCC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2OS/c1-11-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKeyYRUKQBNTWXFUBV-UHFFFAOYSA-N
XLogP-0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-piperazin-1-ylethanone?
The IUPAC name of 2-methylsulfanyl-1-piperazin-1-ylethanone (CID 28776598) is 2-methylsulfanyl-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-methylsulfanyl-1-piperazin-1-ylethanone?
The canonical SMILES for 2-methylsulfanyl-1-piperazin-1-ylethanone is CSCC(=O)N1CCNCC1.
What is the InChIKey of 2-methylsulfanyl-1-piperazin-1-ylethanone?
The InChIKey is YRUKQBNTWXFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-11-6-7(10)9-4-2-8-3-5-9/h8H,2-6H2,1H3.
What are the key properties of 2-methylsulfanyl-1-piperazin-1-ylethanone?
2-methylsulfanyl-1-piperazin-1-ylethanone has a molecular weight of 174.27 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-piperazin-1-ylethanone is sourced from PubChem (CID 28776598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).