(5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

C12H18N2OS — CID 17250256

IUPAC(5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C12H18N2OS/c1-3-10-4-5-11(16-10)12(15)14-8-6-13(2)7-9-14/h4-5H,3,6-9H2,1-2H3
InChIKeyJVPXOHAMCAEFHD-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.70
Rot. Bonds2

About (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 17250256) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID17250256
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C12H18N2OS/c1-3-10-4-5-11(16-10)12(15)14-8-6-13(2)7-9-14/h4-5H,3,6-9H2,1-2H3
InChIKeyJVPXOHAMCAEFHD-UHFFFAOYSA-N
XLogP1.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 17250256) is (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is CCc1ccc(C(=O)N2CCN(C)CC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JVPXOHAMCAEFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-10-4-5-11(16-10)12(15)14-8-6-13(2)7-9-14/h4-5H,3,6-9H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 17250256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).