1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone

C9H20N2OS — CID 123887418

IUPAC1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(C)(C)C)CC1
InChIInChI=1S/C9H20N2OS/c1-9(12)10-5-7-11(8-6-10)13(2,3)4/h5-8H2,1-4H3
InChIKeyLNLZUDLNZPZXTI-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.76
Rot. Bonds1

About 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone

1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone (PubChem CID 123887418) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone
PubChem CID123887418
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(C)(C)C)CC1
InChIInChI=1S/C9H20N2OS/c1-9(12)10-5-7-11(8-6-10)13(2,3)4/h5-8H2,1-4H3
InChIKeyLNLZUDLNZPZXTI-UHFFFAOYSA-N
XLogP0.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone (CID 123887418) is 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(S(C)(C)C)CC1.
What is the InChIKey of 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone?
The InChIKey is LNLZUDLNZPZXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(12)10-5-7-11(8-6-10)13(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone?
1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone has a molecular weight of 204.34 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trimethyl-λ4-sulfanyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123887418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).