1-(2-tert-butylsulfonylethyl)-3-methylpiperazine

C11H24N2O2S — CID 103815500

IUPAC1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
SMILESCC1CN(CCS(=O)(=O)C(C)(C)C)CCN1
InChIInChI=1S/C11H24N2O2S/c1-10-9-13(6-5-12-10)7-8-16(14,15)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeySNVWQDJLJNFCCN-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.49
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine

1-(2-tert-butylsulfonylethyl)-3-methylpiperazine (PubChem CID 103815500) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
PubChem CID103815500
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
SMILESCC1CN(CCS(=O)(=O)C(C)(C)C)CCN1
InChIInChI=1S/C11H24N2O2S/c1-10-9-13(6-5-12-10)7-8-16(14,15)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeySNVWQDJLJNFCCN-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine (CID 103815500) is 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine is CC1CN(CCS(=O)(=O)C(C)(C)C)CCN1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine?
The InChIKey is SNVWQDJLJNFCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10-9-13(6-5-12-10)7-8-16(14,15)11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine?
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-3-methylpiperazine is sourced from PubChem (CID 103815500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).