3-methyl-1-(thiolan-3-yl)piperazine

C9H18N2S — CID 65417235

IUPAC3-methyl-1-(thiolan-3-yl)piperazine
SMILESCC1CN(C2CCSC2)CCN1
InChIInChI=1S/C9H18N2S/c1-8-6-11(4-3-10-8)9-2-5-12-7-9/h8-10H,2-7H2,1H3
InChIKeyHIDRFZRMEWJDGR-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.79
Rot. Bonds1

About 3-methyl-1-(thiolan-3-yl)piperazine

3-methyl-1-(thiolan-3-yl)piperazine (PubChem CID 65417235) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-methyl-1-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(thiolan-3-yl)piperazine
PubChem CID65417235
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-methyl-1-(thiolan-3-yl)piperazine
SMILESCC1CN(C2CCSC2)CCN1
InChIInChI=1S/C9H18N2S/c1-8-6-11(4-3-10-8)9-2-5-12-7-9/h8-10H,2-7H2,1H3
InChIKeyHIDRFZRMEWJDGR-UHFFFAOYSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiolan-3-yl)piperazine?
The IUPAC name of 3-methyl-1-(thiolan-3-yl)piperazine (CID 65417235) is 3-methyl-1-(thiolan-3-yl)piperazine.
What is the SMILES notation for 3-methyl-1-(thiolan-3-yl)piperazine?
The canonical SMILES for 3-methyl-1-(thiolan-3-yl)piperazine is CC1CN(C2CCSC2)CCN1.
What is the InChIKey of 3-methyl-1-(thiolan-3-yl)piperazine?
The InChIKey is HIDRFZRMEWJDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-6-11(4-3-10-8)9-2-5-12-7-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(thiolan-3-yl)piperazine?
3-methyl-1-(thiolan-3-yl)piperazine has a molecular weight of 186.32 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiolan-3-yl)piperazine is sourced from PubChem (CID 65417235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).