1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one

C9H11ClN2OS — CID 83711932

IUPAC1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one
SMILESCC1NCCN(c2ccc(Cl)s2)C1=O
InChIInChI=1S/C9H11ClN2OS/c1-6-9(13)12(5-4-11-6)8-3-2-7(10)14-8/h2-3,6,11H,4-5H2,1H3
InChIKeyIDLTWYUSQCWATG-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.73
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one

1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one (PubChem CID 83711932) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one
PubChem CID83711932
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one
SMILESCC1NCCN(c2ccc(Cl)s2)C1=O
InChIInChI=1S/C9H11ClN2OS/c1-6-9(13)12(5-4-11-6)8-3-2-7(10)14-8/h2-3,6,11H,4-5H2,1H3
InChIKeyIDLTWYUSQCWATG-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one (CID 83711932) is 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one is CC1NCCN(c2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one?
The InChIKey is IDLTWYUSQCWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-6-9(13)12(5-4-11-6)8-3-2-7(10)14-8/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one?
1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one has a molecular weight of 230.72 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 83711932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).