(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone

C11H15ClN2OS — CID 25236154

IUPAC(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H15ClN2OS/c1-2-13-5-7-14(8-6-13)11(15)9-3-4-10(12)16-9/h3-4H,2,5-8H2,1H3
InChIKeyOLFBGEQUPVWMOU-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.18
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 25236154) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID25236154
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H15ClN2OS/c1-2-13-5-7-14(8-6-13)11(15)9-3-4-10(12)16-9/h3-4H,2,5-8H2,1H3
InChIKeyOLFBGEQUPVWMOU-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 25236154) is (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is OLFBGEQUPVWMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-2-13-5-7-14(8-6-13)11(15)9-3-4-10(12)16-9/h3-4H,2,5-8H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 258.77 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 25236154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).