1-methyl-4-propylsulfinylpiperazin-1-ium

C8H19N2OS+ — CID 143054403

IUPAC1-methyl-4-propylsulfinylpiperazin-1-ium
SMILESCCCS(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C8H18N2OS/c1-3-8-12(11)10-6-4-9(2)5-7-10/h3-8H2,1-2H3/p+1
InChIKeyCJCUQWIPYQDELY-UHFFFAOYSA-O
MW191.32 g/mol
LogP-1.11
Rot. Bonds3

About 1-methyl-4-propylsulfinylpiperazin-1-ium

1-methyl-4-propylsulfinylpiperazin-1-ium (PubChem CID 143054403) has the molecular formula C8H19N2OS+ and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-4-propylsulfinylpiperazin-1-ium.

Molecular Properties

Compound Name1-methyl-4-propylsulfinylpiperazin-1-ium
PubChem CID143054403
Molecular FormulaC8H19N2OS+
Molecular Weight191.32 g/mol
Exact Mass191.12
IUPAC Name1-methyl-4-propylsulfinylpiperazin-1-ium
SMILESCCCS(=O)N1CC[NH+](C)CC1
InChIInChI=1S/C8H18N2OS/c1-3-8-12(11)10-6-4-9(2)5-7-10/h3-8H2,1-2H3/p+1
InChIKeyCJCUQWIPYQDELY-UHFFFAOYSA-O
XLogP-1.11
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylsulfinylpiperazin-1-ium?
The IUPAC name of 1-methyl-4-propylsulfinylpiperazin-1-ium (CID 143054403) is 1-methyl-4-propylsulfinylpiperazin-1-ium.
What is the SMILES notation for 1-methyl-4-propylsulfinylpiperazin-1-ium?
The canonical SMILES for 1-methyl-4-propylsulfinylpiperazin-1-ium is CCCS(=O)N1CC[NH+](C)CC1.
What is the InChIKey of 1-methyl-4-propylsulfinylpiperazin-1-ium?
The InChIKey is CJCUQWIPYQDELY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2OS/c1-3-8-12(11)10-6-4-9(2)5-7-10/h3-8H2,1-2H3/p+1.
What are the key properties of 1-methyl-4-propylsulfinylpiperazin-1-ium?
1-methyl-4-propylsulfinylpiperazin-1-ium has a molecular weight of 191.32 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylsulfinylpiperazin-1-ium is sourced from PubChem (CID 143054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).