1-[(1S)-1-methylsulfanylethyl]piperazin-2-one

C7H14N2OS — CID 67599573

IUPAC1-[(1S)-1-methylsulfanylethyl]piperazin-2-one
SMILESCS[C@@H](C)N1CCNCC1=O
InChIInChI=1S/C7H14N2OS/c1-6(11-2)9-4-3-8-5-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyKUJIBZLKTIYHQB-LURJTMIESA-N
MW174.27 g/mol
LogP0.13
Rot. Bonds2

About 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one

1-[(1S)-1-methylsulfanylethyl]piperazin-2-one (PubChem CID 67599573) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-methylsulfanylethyl]piperazin-2-one
PubChem CID67599573
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-[(1S)-1-methylsulfanylethyl]piperazin-2-one
SMILESCS[C@@H](C)N1CCNCC1=O
InChIInChI=1S/C7H14N2OS/c1-6(11-2)9-4-3-8-5-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyKUJIBZLKTIYHQB-LURJTMIESA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Lasiodipline B
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1-[2-(Trifluoromethylsulfanyl)ethyl]piperazin-2-one
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1-[2-(Trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one?
The IUPAC name of 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one (CID 67599573) is 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one.
What is the SMILES notation for 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one?
The canonical SMILES for 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one is CS[C@@H](C)N1CCNCC1=O.
What is the InChIKey of 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one?
The InChIKey is KUJIBZLKTIYHQB-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(11-2)9-4-3-8-5-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one?
1-[(1S)-1-methylsulfanylethyl]piperazin-2-one has a molecular weight of 174.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-methylsulfanylethyl]piperazin-2-one is sourced from PubChem (CID 67599573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).