1-butylsulfonyl-4-ethylpiperazine

C10H22N2O2S — CID 19682858

IUPAC1-butylsulfonyl-4-ethylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(CC)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-5-10-15(13,14)12-8-6-11(4-2)7-9-12/h3-10H2,1-2H3
InChIKeyWVSHDTRQSZKVQB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds5

About 1-butylsulfonyl-4-ethylpiperazine

1-butylsulfonyl-4-ethylpiperazine (PubChem CID 19682858) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-butylsulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-ethylpiperazine
PubChem CID19682858
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-butylsulfonyl-4-ethylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(CC)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-5-10-15(13,14)12-8-6-11(4-2)7-9-12/h3-10H2,1-2H3
InChIKeyWVSHDTRQSZKVQB-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 1-butylsulfonyl-4-ethylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-ethylpiperazine (CID 19682858) is 1-butylsulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-ethylpiperazine is CCCCS(=O)(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-butylsulfonyl-4-ethylpiperazine?
The InChIKey is WVSHDTRQSZKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-5-10-15(13,14)12-8-6-11(4-2)7-9-12/h3-10H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-ethylpiperazine?
1-butylsulfonyl-4-ethylpiperazine has a molecular weight of 234.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-ethylpiperazine is sourced from PubChem (CID 19682858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).