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

C12H17ClN2OS — CID 119470836

IUPAC2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCNCC1C)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-8-7-14-5-6-15(8)12(16)9(2)10-3-4-11(13)17-10/h3-4,8-9,14H,5-7H2,1-2H3
InChIKeyVSEDUHUOZVUYQX-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.33
Rot. Bonds2

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

2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 119470836) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID119470836
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCNCC1C)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-8-7-14-5-6-15(8)12(16)9(2)10-3-4-11(13)17-10/h3-4,8-9,14H,5-7H2,1-2H3
InChIKeyVSEDUHUOZVUYQX-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one (CID 119470836) is 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCNCC1C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is VSEDUHUOZVUYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-8-7-14-5-6-15(8)12(16)9(2)10-3-4-11(13)17-10/h3-4,8-9,14H,5-7H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one?
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 272.80 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119470836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).