4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide

C11H25N3O2S — CID 58603004

IUPAC4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCCCNC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-4-5-8-12-11-6-9-14(10-7-11)17(15,16)13(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJGZLEPYHJQXPTK-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.65
Rot. Bonds6

About 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide

4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 58603004) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID58603004
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCCCNC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H25N3O2S/c1-4-5-8-12-11-6-9-14(10-7-11)17(15,16)13(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJGZLEPYHJQXPTK-UHFFFAOYSA-N
XLogP0.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide (CID 58603004) is 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide is CCCCNC1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is JGZLEPYHJQXPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-4-5-8-12-11-6-9-14(10-7-11)17(15,16)13(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 58603004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).