4-tert-butylpiperazine-1-sulfonyl chloride

C8H17ClN2O2S — CID 114958282

IUPAC4-tert-butylpiperazine-1-sulfonyl chloride
SMILESCC(C)(C)N1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H17ClN2O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3
InChIKeyNCLZZPUDSXYJCE-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.89
Rot. Bonds1

About 4-tert-butylpiperazine-1-sulfonyl chloride

4-tert-butylpiperazine-1-sulfonyl chloride (PubChem CID 114958282) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 4-tert-butylpiperazine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-tert-butylpiperazine-1-sulfonyl chloride
PubChem CID114958282
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name4-tert-butylpiperazine-1-sulfonyl chloride
SMILESCC(C)(C)N1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H17ClN2O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3
InChIKeyNCLZZPUDSXYJCE-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpiperazine-1-sulfonyl chloride?
The IUPAC name of 4-tert-butylpiperazine-1-sulfonyl chloride (CID 114958282) is 4-tert-butylpiperazine-1-sulfonyl chloride.
What is the SMILES notation for 4-tert-butylpiperazine-1-sulfonyl chloride?
The canonical SMILES for 4-tert-butylpiperazine-1-sulfonyl chloride is CC(C)(C)N1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-tert-butylpiperazine-1-sulfonyl chloride?
The InChIKey is NCLZZPUDSXYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3.
What are the key properties of 4-tert-butylpiperazine-1-sulfonyl chloride?
4-tert-butylpiperazine-1-sulfonyl chloride has a molecular weight of 240.76 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperazine-1-sulfonyl chloride is sourced from PubChem (CID 114958282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).