1-(2-methylpropyl)-4-methylsulfinylpiperazine

C9H20N2OS — CID 145371199

IUPAC1-(2-methylpropyl)-4-methylsulfinylpiperazine
SMILESCC(C)CN1CCN(S(C)=O)CC1
InChIInChI=1S/C9H20N2OS/c1-9(2)8-10-4-6-11(7-5-10)13(3)12/h9H,4-8H2,1-3H3
InChIKeyCJGMKXHSZCGAON-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-methylpropyl)-4-methylsulfinylpiperazine

1-(2-methylpropyl)-4-methylsulfinylpiperazine (PubChem CID 145371199) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-methylsulfinylpiperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-methylsulfinylpiperazine
PubChem CID145371199
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name1-(2-methylpropyl)-4-methylsulfinylpiperazine
SMILESCC(C)CN1CCN(S(C)=O)CC1
InChIInChI=1S/C9H20N2OS/c1-9(2)8-10-4-6-11(7-5-10)13(3)12/h9H,4-8H2,1-3H3
InChIKeyCJGMKXHSZCGAON-UHFFFAOYSA-N
XLogP0.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-methylsulfinylpiperazine?
The IUPAC name of 1-(2-methylpropyl)-4-methylsulfinylpiperazine (CID 145371199) is 1-(2-methylpropyl)-4-methylsulfinylpiperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-methylsulfinylpiperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-methylsulfinylpiperazine is CC(C)CN1CCN(S(C)=O)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-methylsulfinylpiperazine?
The InChIKey is CJGMKXHSZCGAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2)8-10-4-6-11(7-5-10)13(3)12/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-methylsulfinylpiperazine?
1-(2-methylpropyl)-4-methylsulfinylpiperazine has a molecular weight of 204.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-methylsulfinylpiperazine is sourced from PubChem (CID 145371199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).