4-tert-butylpiperidine-1-sulfonamide

C9H20N2O2S — CID 62091441

IUPAC4-tert-butylpiperidine-1-sulfonamide
SMILESCC(C)(C)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)8-4-6-11(7-5-8)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13)
InChIKeyMVYPRFITHHKXRL-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.95
Rot. Bonds1

About 4-tert-butylpiperidine-1-sulfonamide

4-tert-butylpiperidine-1-sulfonamide (PubChem CID 62091441) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-tert-butylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butylpiperidine-1-sulfonamide
PubChem CID62091441
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-tert-butylpiperidine-1-sulfonamide
SMILESCC(C)(C)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-9(2,3)8-4-6-11(7-5-8)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13)
InChIKeyMVYPRFITHHKXRL-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpiperidine-1-sulfonamide?
The IUPAC name of 4-tert-butylpiperidine-1-sulfonamide (CID 62091441) is 4-tert-butylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butylpiperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butylpiperidine-1-sulfonamide is CC(C)(C)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-tert-butylpiperidine-1-sulfonamide?
The InChIKey is MVYPRFITHHKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,3)8-4-6-11(7-5-8)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13).
What are the key properties of 4-tert-butylpiperidine-1-sulfonamide?
4-tert-butylpiperidine-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperidine-1-sulfonamide is sourced from PubChem (CID 62091441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).