[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone

C10H18N2OS — CID 82756247

IUPAC[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
SMILESC[C@@H]1CNCCN1C(=O)C1CCSC1
InChIInChI=1S/C10H18N2OS/c1-8-6-11-3-4-12(8)10(13)9-2-5-14-7-9/h8-9,11H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyFLHXGVUILVODRP-VEDVMXKPSA-N
MW214.33 g/mol
LogP0.56
Rot. Bonds1

About [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone

[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone (PubChem CID 82756247) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
PubChem CID82756247
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone
SMILESC[C@@H]1CNCCN1C(=O)C1CCSC1
InChIInChI=1S/C10H18N2OS/c1-8-6-11-3-4-12(8)10(13)9-2-5-14-7-9/h8-9,11H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyFLHXGVUILVODRP-VEDVMXKPSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.56
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]-(thiolan-3-yl)methanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone (CID 82756247) is [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone is C[C@@H]1CNCCN1C(=O)C1CCSC1.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone?
The InChIKey is FLHXGVUILVODRP-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-6-11-3-4-12(8)10(13)9-2-5-14-7-9/h8-9,11H,2-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone?
[(2R)-2-methylpiperazin-1-yl]-(thiolan-3-yl)methanone has a molecular weight of 214.33 g/mol, XLogP of 0.56, 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]-(thiolan-3-yl)methanone is sourced from PubChem (CID 82756247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).