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

C10H22N3O2S- — CID 58602994

IUPAC4-butyl-N,N-dimethylpiperazine-1-sulfonamide
SMILES[CH2-]CCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H22N3O2S/c1-4-5-6-12-7-9-13(10-8-12)16(14,15)11(2)3/h1,4-10H2,2-3H3/q-1
InChIKeyHIMJCABGSQVWMT-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.02
Rot. Bonds5

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

4-butyl-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 58602994) has the molecular formula C10H22N3O2S- and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-butyl-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-butyl-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID58602994
Molecular FormulaC10H22N3O2S-
Molecular Weight248.37 g/mol
Exact Mass248.14
IUPAC Name4-butyl-N,N-dimethylpiperazine-1-sulfonamide
SMILES[CH2-]CCCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H22N3O2S/c1-4-5-6-12-7-9-13(10-8-12)16(14,15)11(2)3/h1,4-10H2,2-3H3/q-1
InChIKeyHIMJCABGSQVWMT-UHFFFAOYSA-N
XLogP0.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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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 58602994) 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 [CH2-]CCCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-butyl-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is HIMJCABGSQVWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3O2S/c1-4-5-6-12-7-9-13(10-8-12)16(14,15)11(2)3/h1,4-10H2,2-3H3/q-1.
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 248.37 g/mol, XLogP of 0.02, 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 58602994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).