1-methyl-4-(thiolan-3-yl)piperazine

C9H18N2S — CID 2849469

IUPAC1-methyl-4-(thiolan-3-yl)piperazine
SMILESCN1CCN(C2CCSC2)CC1
InChIInChI=1S/C9H18N2S/c1-10-3-5-11(6-4-10)9-2-7-12-8-9/h9H,2-8H2,1H3
InChIKeyHLTFNMSHGMDKJD-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.74
Rot. Bonds1

About 1-methyl-4-(thiolan-3-yl)piperazine

1-methyl-4-(thiolan-3-yl)piperazine (PubChem CID 2849469) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-methyl-4-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(thiolan-3-yl)piperazine
PubChem CID2849469
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-methyl-4-(thiolan-3-yl)piperazine
SMILESCN1CCN(C2CCSC2)CC1
InChIInChI=1S/C9H18N2S/c1-10-3-5-11(6-4-10)9-2-7-12-8-9/h9H,2-8H2,1H3
InChIKeyHLTFNMSHGMDKJD-UHFFFAOYSA-N
XLogP0.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(thiolan-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(thiolan-3-yl)piperazine (CID 2849469) is 1-methyl-4-(thiolan-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(thiolan-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(thiolan-3-yl)piperazine is CN1CCN(C2CCSC2)CC1.
What is the InChIKey of 1-methyl-4-(thiolan-3-yl)piperazine?
The InChIKey is HLTFNMSHGMDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-10-3-5-11(6-4-10)9-2-7-12-8-9/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-4-(thiolan-3-yl)piperazine?
1-methyl-4-(thiolan-3-yl)piperazine has a molecular weight of 186.32 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(thiolan-3-yl)piperazine is sourced from PubChem (CID 2849469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).