4-butyl-N,N-dimethylpiperazine-1-sulfonamide

C10H23N3O2S — CID 58602995

IUPAC4-butyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H23N3O2S/c1-4-5-6-12-7-9-13(10-8-12)16(14,15)11(2)3/h4-10H2,1-3H3
InChIKeyWEQBGSJMHVYFSI-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.21
Rot. Bonds5

About 4-butyl-N,N-dimethylpiperazine-1-sulfonamide

4-butyl-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 58602995) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-butyl-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-butyl-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID58602995
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name4-butyl-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H23N3O2S/c1-4-5-6-12-7-9-13(10-8-12)16(14,15)11(2)3/h4-10H2,1-3H3
InChIKeyWEQBGSJMHVYFSI-UHFFFAOYSA-N
XLogP0.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-butyl-N,N-dimethylpiperazine-1-sulfonamide (CID 58602995) is 4-butyl-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-butyl-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-butyl-N,N-dimethylpiperazine-1-sulfonamide is CCCCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-butyl-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is WEQBGSJMHVYFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-5-6-12-7-9-13(10-8-12)16(14,15)11(2)3/h4-10H2,1-3H3.
What are the key properties of 4-butyl-N,N-dimethylpiperazine-1-sulfonamide?
4-butyl-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 58602995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).