4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide

C10H21N3O3S — CID 62677126

IUPAC4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
SMILESCCC(C)(C)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-4-10(2,3)9(14)12-5-7-13(8-6-12)17(11,15)16/h4-8H2,1-3H3,(H2,11,15,16)
InChIKeyFJQITTPPVWTVQK-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.23
Rot. Bonds3

About 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide

4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide (PubChem CID 62677126) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
PubChem CID62677126
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
SMILESCCC(C)(C)C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-4-10(2,3)9(14)12-5-7-13(8-6-12)17(11,15)16/h4-8H2,1-3H3,(H2,11,15,16)
InChIKeyFJQITTPPVWTVQK-UHFFFAOYSA-N
XLogP-0.23
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide (CID 62677126) is 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide is CCC(C)(C)C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide?
The InChIKey is FJQITTPPVWTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-4-10(2,3)9(14)12-5-7-13(8-6-12)17(11,15)16/h4-8H2,1-3H3,(H2,11,15,16).
What are the key properties of 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide?
4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62677126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).