4-tert-butyl-N-methylpiperidine-1-sulfonamide

C10H22N2O2S — CID 127715643

IUPAC4-tert-butyl-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9-5-7-12(8-6-9)15(13,14)11-4/h9,11H,5-8H2,1-4H3
InChIKeyKDUPTRDXTURAAE-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.21
Rot. Bonds2

About 4-tert-butyl-N-methylpiperidine-1-sulfonamide

4-tert-butyl-N-methylpiperidine-1-sulfonamide (PubChem CID 127715643) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-tert-butyl-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methylpiperidine-1-sulfonamide
PubChem CID127715643
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-tert-butyl-N-methylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)9-5-7-12(8-6-9)15(13,14)11-4/h9,11H,5-8H2,1-4H3
InChIKeyKDUPTRDXTURAAE-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-methylpiperidine-1-sulfonamide (CID 127715643) is 4-tert-butyl-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-methylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methylpiperidine-1-sulfonamide?
The InChIKey is KDUPTRDXTURAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)9-5-7-12(8-6-9)15(13,14)11-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methylpiperidine-1-sulfonamide?
4-tert-butyl-N-methylpiperidine-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 127715643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).