1-ethylsulfonyl-4-(2-methylpropyl)piperazine

C10H22N2O2S — CID 58233872

IUPAC1-ethylsulfonyl-4-(2-methylpropyl)piperazine
SMILESCCS(=O)(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-15(13,14)12-7-5-11(6-8-12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyOULAQHHGHBWRAS-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.61
Rot. Bonds4

About 1-ethylsulfonyl-4-(2-methylpropyl)piperazine

1-ethylsulfonyl-4-(2-methylpropyl)piperazine (PubChem CID 58233872) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-methylpropyl)piperazine
PubChem CID58233872
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-ethylsulfonyl-4-(2-methylpropyl)piperazine
SMILESCCS(=O)(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-15(13,14)12-7-5-11(6-8-12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyOULAQHHGHBWRAS-UHFFFAOYSA-N
XLogP0.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(2-methylpropyl)piperazine (CID 58233872) is 1-ethylsulfonyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(2-methylpropyl)piperazine is CCS(=O)(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-methylpropyl)piperazine?
The InChIKey is OULAQHHGHBWRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-15(13,14)12-7-5-11(6-8-12)9-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-(2-methylpropyl)piperazine?
1-ethylsulfonyl-4-(2-methylpropyl)piperazine has a molecular weight of 234.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 58233872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).