3-[tert-butyl(sulfinato)amino]pyridine

C9H13N2O2S- — CID 123766222

IUPAC3-[tert-butyl(sulfinato)amino]pyridine
SMILESCC(C)(C)N(c1cccnc1)S(=O)[O-]
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)11(14(12)13)8-5-4-6-10-7-8/h4-7H,1-3H3,(H,12,13)/p-1
InChIKeyIUPDJVQBXCZEOS-UHFFFAOYSA-M
MW213.28 g/mol
LogP1.48
Rot. Bonds2

About 3-[tert-butyl(sulfinato)amino]pyridine

3-[tert-butyl(sulfinato)amino]pyridine (PubChem CID 123766222) has the molecular formula C9H13N2O2S- and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[tert-butyl(sulfinato)amino]pyridine.

Molecular Properties

Compound Name3-[tert-butyl(sulfinato)amino]pyridine
PubChem CID123766222
Molecular FormulaC9H13N2O2S-
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name3-[tert-butyl(sulfinato)amino]pyridine
SMILESCC(C)(C)N(c1cccnc1)S(=O)[O-]
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)11(14(12)13)8-5-4-6-10-7-8/h4-7H,1-3H3,(H,12,13)/p-1
InChIKeyIUPDJVQBXCZEOS-UHFFFAOYSA-M
XLogP1.48
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(sulfinato)amino]pyridine?
The IUPAC name of 3-[tert-butyl(sulfinato)amino]pyridine (CID 123766222) is 3-[tert-butyl(sulfinato)amino]pyridine.
What is the SMILES notation for 3-[tert-butyl(sulfinato)amino]pyridine?
The canonical SMILES for 3-[tert-butyl(sulfinato)amino]pyridine is CC(C)(C)N(c1cccnc1)S(=O)[O-].
What is the InChIKey of 3-[tert-butyl(sulfinato)amino]pyridine?
The InChIKey is IUPDJVQBXCZEOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)11(14(12)13)8-5-4-6-10-7-8/h4-7H,1-3H3,(H,12,13)/p-1.
What are the key properties of 3-[tert-butyl(sulfinato)amino]pyridine?
3-[tert-butyl(sulfinato)amino]pyridine has a molecular weight of 213.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(sulfinato)amino]pyridine is sourced from PubChem (CID 123766222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).