1-methyl-3-(propylsulfonylmethyl)piperazine

C9H20N2O2S — CID 117037219

IUPAC1-methyl-3-(propylsulfonylmethyl)piperazine
SMILESCCCS(=O)(=O)CC1CN(C)CCN1
InChIInChI=1S/C9H20N2O2S/c1-3-6-14(12,13)8-9-7-11(2)5-4-10-9/h9-10H,3-8H2,1-2H3
InChIKeyZHHIWFSKHFTLLX-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.29
Rot. Bonds4

About 1-methyl-3-(propylsulfonylmethyl)piperazine

1-methyl-3-(propylsulfonylmethyl)piperazine (PubChem CID 117037219) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-methyl-3-(propylsulfonylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(propylsulfonylmethyl)piperazine
PubChem CID117037219
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-methyl-3-(propylsulfonylmethyl)piperazine
SMILESCCCS(=O)(=O)CC1CN(C)CCN1
InChIInChI=1S/C9H20N2O2S/c1-3-6-14(12,13)8-9-7-11(2)5-4-10-9/h9-10H,3-8H2,1-2H3
InChIKeyZHHIWFSKHFTLLX-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propylsulfonylmethyl)piperazine?
The IUPAC name of 1-methyl-3-(propylsulfonylmethyl)piperazine (CID 117037219) is 1-methyl-3-(propylsulfonylmethyl)piperazine.
What is the SMILES notation for 1-methyl-3-(propylsulfonylmethyl)piperazine?
The canonical SMILES for 1-methyl-3-(propylsulfonylmethyl)piperazine is CCCS(=O)(=O)CC1CN(C)CCN1.
What is the InChIKey of 1-methyl-3-(propylsulfonylmethyl)piperazine?
The InChIKey is ZHHIWFSKHFTLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-6-14(12,13)8-9-7-11(2)5-4-10-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-(propylsulfonylmethyl)piperazine?
1-methyl-3-(propylsulfonylmethyl)piperazine has a molecular weight of 220.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propylsulfonylmethyl)piperazine is sourced from PubChem (CID 117037219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).