2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine

C10H22N2O2S — CID 130440435

IUPAC2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine
SMILESCCC1CN(C(C)C)CCN1S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-5-10-8-11(9(2)3)6-7-12(10)15(4,13)14/h9-10H,5-8H2,1-4H3
InChIKeyKNBJICGZMRIVDK-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds3

About 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine

2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine (PubChem CID 130440435) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine
PubChem CID130440435
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine
SMILESCCC1CN(C(C)C)CCN1S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-5-10-8-11(9(2)3)6-7-12(10)15(4,13)14/h9-10H,5-8H2,1-4H3
InChIKeyKNBJICGZMRIVDK-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine (CID 130440435) is 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine is CCC1CN(C(C)C)CCN1S(C)(=O)=O.
What is the InChIKey of 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
The InChIKey is KNBJICGZMRIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-5-10-8-11(9(2)3)6-7-12(10)15(4,13)14/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine has a molecular weight of 234.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 130440435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).