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

C11H24N2O2S — CID 70209961

IUPAC5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine
SMILESCCC1CN(S(C)(=O)=O)C(C)CN1C(C)C
InChIInChI=1S/C11H24N2O2S/c1-6-11-8-13(16(5,14)15)10(4)7-12(11)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyHKZUCWHWCHVZHE-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds3

About 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine

5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine (PubChem CID 70209961) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine
PubChem CID70209961
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine
SMILESCCC1CN(S(C)(=O)=O)C(C)CN1C(C)C
InChIInChI=1S/C11H24N2O2S/c1-6-11-8-13(16(5,14)15)10(4)7-12(11)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyHKZUCWHWCHVZHE-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine (CID 70209961) is 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine is CCC1CN(S(C)(=O)=O)C(C)CN1C(C)C.
What is the InChIKey of 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
The InChIKey is HKZUCWHWCHVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-6-11-8-13(16(5,14)15)10(4)7-12(11)9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine?
5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1-methylsulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 70209961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).