N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine

C6H13NO2S — CID 59058282

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
SMILESCC1(C)OCC(CNS)O1
InChIInChI=1S/C6H13NO2S/c1-6(2)8-4-5(9-6)3-7-10/h5,7,10H,3-4H2,1-2H3
InChIKeyUXEOXGAXINORNL-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.57
Rot. Bonds2

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine (PubChem CID 59058282) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
PubChem CID59058282
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
SMILESCC1(C)OCC(CNS)O1
InChIInChI=1S/C6H13NO2S/c1-6(2)8-4-5(9-6)3-7-10/h5,7,10H,3-4H2,1-2H3
InChIKeyUXEOXGAXINORNL-UHFFFAOYSA-N
XLogP0.57
TPSA30.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane-4-methanamine, 2,2-dimethyl-
CID 4122349
(4S,5S)-4,5-DI(Aminomethyl)-2,2-dimethyldioxolane
CID 785247
2-(2-Methyl-1,3-dioxolan-2-yl)ethanamine
CID 10942456
(2-Methyl-1,3-dioxolan-2-yl)methanamine
CID 12434663
1-(2-Methyl-1,3-dioxolan-2-yl)ethan-1-amine
CID 18183206
(2,2-Dimethyl-1,3-dioxolan-4-yl)methanamine hydrochloride
CID 21466688
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2733884
1-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 10154073
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine
CID 15316547
(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine
CID 59149660
N-(2,2-dimethyl-1,3-dioxolan-4-ylmethyl)sulfamide
CID 11521331
2,2-Dimethyl-1,3-dioxolane-4,5-dimethanamine
CID 2829039

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine (CID 59058282) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine is CC1(C)OCC(CNS)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine?
The InChIKey is UXEOXGAXINORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)8-4-5(9-6)3-7-10/h5,7,10H,3-4H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine has a molecular weight of 163.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine is sourced from PubChem (CID 59058282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).