N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide

C11H23N3O3S — CID 104978053

IUPACN-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC(C)(C)C)CCC1=NO
InChIInChI=1S/C11H23N3O3S/c1-5-9-8-14(7-6-10(9)12-15)18(16,17)13-11(2,3)4/h9,13,15H,5-8H2,1-4H3
InChIKeyMVNCXFMJAIFNAM-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.18
Rot. Bonds3

About N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide

N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide (PubChem CID 104978053) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide
PubChem CID104978053
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide
SMILESCCC1CN(S(=O)(=O)NC(C)(C)C)CCC1=NO
InChIInChI=1S/C11H23N3O3S/c1-5-9-8-14(7-6-10(9)12-15)18(16,17)13-11(2,3)4/h9,13,15H,5-8H2,1-4H3
InChIKeyMVNCXFMJAIFNAM-UHFFFAOYSA-N
XLogP1.18
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide (CID 104978053) is N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide is CCC1CN(S(=O)(=O)NC(C)(C)C)CCC1=NO.
What is the InChIKey of N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
The InChIKey is MVNCXFMJAIFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-5-9-8-14(7-6-10(9)12-15)18(16,17)13-11(2,3)4/h9,13,15H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide?
N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethyl-4-hydroxyiminopiperidine-1-sulfonamide is sourced from PubChem (CID 104978053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).