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

C10H23N3O2S — CID 58602990

IUPAC4-[butyl(methyl)amino]piperidine-1-sulfonamide
SMILESCCCCN(C)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-3-4-7-12(2)10-5-8-13(9-6-10)16(11,14)15/h10H,3-9H2,1-2H3,(H2,11,14,15)
InChIKeyFDXCPCXCOKRVPB-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.39
Rot. Bonds5

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

4-[butyl(methyl)amino]piperidine-1-sulfonamide (PubChem CID 58602990) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]piperidine-1-sulfonamide
PubChem CID58602990
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name4-[butyl(methyl)amino]piperidine-1-sulfonamide
SMILESCCCCN(C)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-3-4-7-12(2)10-5-8-13(9-6-10)16(11,14)15/h10H,3-9H2,1-2H3,(H2,11,14,15)
InChIKeyFDXCPCXCOKRVPB-UHFFFAOYSA-N
XLogP0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 58602990) 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 CCCCN(C)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[butyl(methyl)amino]piperidine-1-sulfonamide?
The InChIKey is FDXCPCXCOKRVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-4-7-12(2)10-5-8-13(9-6-10)16(11,14)15/h10H,3-9H2,1-2H3,(H2,11,14,15).
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 249.38 g/mol, XLogP of 0.39, 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 58602990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).