[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone

C10H14N2OS — CID 82705008

IUPAC[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@@H]1CNCCN1C(=O)c1cccs1
InChIInChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyZXBAZKIDQGDEAA-MRVPVSSYSA-N
MW210.30 g/mol
LogP1.18
Rot. Bonds1

About [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone

[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 82705008) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID82705008
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESC[C@@H]1CNCCN1C(=O)c1cccs1
InChIInChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyZXBAZKIDQGDEAA-MRVPVSSYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 82705008) is [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone is C[C@@H]1CNCCN1C(=O)c1cccs1.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ZXBAZKIDQGDEAA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 210.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 82705008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).