4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide

C11H24N2O2S — CID 127327712

IUPAC4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)10-6-8-13(9-7-10)16(14,15)12(4)5/h10H,6-9H2,1-5H3
InChIKeyPJYNAOQIFDXBMI-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.55
Rot. Bonds2

About 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide

4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 127327712) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID127327712
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)10-6-8-13(9-7-10)16(14,15)12(4)5/h10H,6-9H2,1-5H3
InChIKeyPJYNAOQIFDXBMI-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide (CID 127327712) is 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is PJYNAOQIFDXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)10-6-8-13(9-7-10)16(14,15)12(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide?
4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 127327712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).