4-[butyl(methyl)amino]piperidine-1-sulfonamide

C10H22N3O2S- — CID 58602989

IUPAC4-[butyl(methyl)amino]piperidine-1-sulfonamide
SMILES[CH2-]CCCN(C)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H22N3O2S/c1-3-4-7-12(2)10-5-8-13(9-6-10)16(11,14)15/h10H,1,3-9H2,2H3,(H2,11,14,15)/q-1
InChIKeyODKRZQLZJXLGNW-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.20
Rot. Bonds5

About 4-[butyl(methyl)amino]piperidine-1-sulfonamide

4-[butyl(methyl)amino]piperidine-1-sulfonamide (PubChem CID 58602989) has the molecular formula C10H22N3O2S- and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]piperidine-1-sulfonamide
PubChem CID58602989
Molecular FormulaC10H22N3O2S-
Molecular Weight248.37 g/mol
Exact Mass248.14
IUPAC Name4-[butyl(methyl)amino]piperidine-1-sulfonamide
SMILES[CH2-]CCCN(C)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H22N3O2S/c1-3-4-7-12(2)10-5-8-13(9-6-10)16(11,14)15/h10H,1,3-9H2,2H3,(H2,11,14,15)/q-1
InChIKeyODKRZQLZJXLGNW-UHFFFAOYSA-N
XLogP0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[butyl(methyl)amino]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]piperidine-1-sulfonamide?
The IUPAC name of 4-[butyl(methyl)amino]piperidine-1-sulfonamide (CID 58602989) is 4-[butyl(methyl)amino]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[butyl(methyl)amino]piperidine-1-sulfonamide?
The canonical SMILES for 4-[butyl(methyl)amino]piperidine-1-sulfonamide is [CH2-]CCCN(C)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[butyl(methyl)amino]piperidine-1-sulfonamide?
The InChIKey is ODKRZQLZJXLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3O2S/c1-3-4-7-12(2)10-5-8-13(9-6-10)16(11,14)15/h10H,1,3-9H2,2H3,(H2,11,14,15)/q-1.
What are the key properties of 4-[butyl(methyl)amino]piperidine-1-sulfonamide?
4-[butyl(methyl)amino]piperidine-1-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]piperidine-1-sulfonamide is sourced from PubChem (CID 58602989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).