2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide

C10H21N3O3S — CID 90204568

IUPAC2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide
SMILESCC1(C(NS(=O)C(C)(C)C)/C(N)=N/O)COC1
InChIInChI=1S/C10H21N3O3S/c1-9(2,3)17(15)13-7(8(11)12-14)10(4)5-16-6-10/h7,13-14H,5-6H2,1-4H3,(H2,11,12)
InChIKeyAISVWEWQCQOWII-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.19
Rot. Bonds4

About 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide

2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide (PubChem CID 90204568) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide
PubChem CID90204568
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide
SMILESCC1(C(NS(=O)C(C)(C)C)/C(N)=N/O)COC1
InChIInChI=1S/C10H21N3O3S/c1-9(2,3)17(15)13-7(8(11)12-14)10(4)5-16-6-10/h7,13-14H,5-6H2,1-4H3,(H2,11,12)
InChIKeyAISVWEWQCQOWII-UHFFFAOYSA-N
XLogP0.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide?
The IUPAC name of 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide (CID 90204568) is 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide.
What is the SMILES notation for 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide?
The canonical SMILES for 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide is CC1(C(NS(=O)C(C)(C)C)/C(N)=N/O)COC1.
What is the InChIKey of 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide?
The InChIKey is AISVWEWQCQOWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(2,3)17(15)13-7(8(11)12-14)10(4)5-16-6-10/h7,13-14H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide?
2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide has a molecular weight of 263.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide is sourced from PubChem (CID 90204568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).