N-tert-butylpiperazine-1-sulfonamide

C8H19N3O2S — CID 28775593

IUPACN-tert-butylpiperazine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-8(2,3)10-14(12,13)11-6-4-9-5-7-11/h9-10H,4-7H2,1-3H3
InChIKeyJLUDHJISYHRORS-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.48
Rot. Bonds2

About N-tert-butylpiperazine-1-sulfonamide

N-tert-butylpiperazine-1-sulfonamide (PubChem CID 28775593) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-tert-butylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpiperazine-1-sulfonamide
PubChem CID28775593
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-tert-butylpiperazine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-8(2,3)10-14(12,13)11-6-4-9-5-7-11/h9-10H,4-7H2,1-3H3
InChIKeyJLUDHJISYHRORS-UHFFFAOYSA-N
XLogP-0.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpiperazine-1-sulfonamide?
The IUPAC name of N-tert-butylpiperazine-1-sulfonamide (CID 28775593) is N-tert-butylpiperazine-1-sulfonamide.
What is the SMILES notation for N-tert-butylpiperazine-1-sulfonamide?
The canonical SMILES for N-tert-butylpiperazine-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-tert-butylpiperazine-1-sulfonamide?
The InChIKey is JLUDHJISYHRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-8(2,3)10-14(12,13)11-6-4-9-5-7-11/h9-10H,4-7H2,1-3H3.
What are the key properties of N-tert-butylpiperazine-1-sulfonamide?
N-tert-butylpiperazine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpiperazine-1-sulfonamide is sourced from PubChem (CID 28775593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).