1-ethylsulfonyl-4-propan-2-ylpiperazine

C9H20N2O2S — CID 740714

IUPAC1-ethylsulfonyl-4-propan-2-ylpiperazine
SMILESCCS(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3/h9H,4-8H2,1-3H3
InChIKeyBZPPGBSDRSQMPE-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds3

About 1-ethylsulfonyl-4-propan-2-ylpiperazine

1-ethylsulfonyl-4-propan-2-ylpiperazine (PubChem CID 740714) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-propan-2-ylpiperazine
PubChem CID740714
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-ethylsulfonyl-4-propan-2-ylpiperazine
SMILESCCS(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3/h9H,4-8H2,1-3H3
InChIKeyBZPPGBSDRSQMPE-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-propan-2-ylpiperazine (CID 740714) is 1-ethylsulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-propan-2-ylpiperazine is CCS(=O)(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-propan-2-ylpiperazine?
The InChIKey is BZPPGBSDRSQMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-14(12,13)11-7-5-10(6-8-11)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-4-propan-2-ylpiperazine?
1-ethylsulfonyl-4-propan-2-ylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 740714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).