4-tert-butylpiperazine-1-sulfonamide

C8H19N3O2S — CID 21029391

IUPAC4-tert-butylpiperazine-1-sulfonamide
SMILESCC(C)(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3,(H2,9,12,13)
InChIKeyMXXOMAFDRCBVIQ-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.39
Rot. Bonds1

About 4-tert-butylpiperazine-1-sulfonamide

4-tert-butylpiperazine-1-sulfonamide (PubChem CID 21029391) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-tert-butylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butylpiperazine-1-sulfonamide
PubChem CID21029391
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name4-tert-butylpiperazine-1-sulfonamide
SMILESCC(C)(C)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H19N3O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3,(H2,9,12,13)
InChIKeyMXXOMAFDRCBVIQ-UHFFFAOYSA-N
XLogP-0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpiperazine-1-sulfonamide?
The IUPAC name of 4-tert-butylpiperazine-1-sulfonamide (CID 21029391) is 4-tert-butylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-tert-butylpiperazine-1-sulfonamide?
The canonical SMILES for 4-tert-butylpiperazine-1-sulfonamide is CC(C)(C)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-tert-butylpiperazine-1-sulfonamide?
The InChIKey is MXXOMAFDRCBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-8(2,3)10-4-6-11(7-5-10)14(9,12)13/h4-7H2,1-3H3,(H2,9,12,13).
What are the key properties of 4-tert-butylpiperazine-1-sulfonamide?
4-tert-butylpiperazine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperazine-1-sulfonamide is sourced from PubChem (CID 21029391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).