methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate

C8H10N2O4S — CID 163170012

IUPACmethyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate
SMILESCOC(=O)CSc1ncccc1N(O)O
InChIInChI=1S/C8H10N2O4S/c1-14-7(11)5-15-8-6(10(12)13)3-2-4-9-8/h2-4,12-13H,5H2,1H3
InChIKeyUYYUSXGJPJTBDF-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.93
Rot. Bonds4

About methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate

methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate (PubChem CID 163170012) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate
PubChem CID163170012
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Namemethyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate
SMILESCOC(=O)CSc1ncccc1N(O)O
InChIInChI=1S/C8H10N2O4S/c1-14-7(11)5-15-8-6(10(12)13)3-2-4-9-8/h2-4,12-13H,5H2,1H3
InChIKeyUYYUSXGJPJTBDF-UHFFFAOYSA-N
XLogP0.93
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetate
CID 645213
N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide
CID 90073674
methyl 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetate
CID 3804988
methyl 2-[(2-chloro-3-pyridinyl)methylsulfanyl]acetate
CID 62464482
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
methyl 2-[[3-amino-4-(dimethylamino)-6-methyl-2-pyridinyl]sulfanyl]acetate
CID 70330571
methyl 2-[(4-chloro-1,2,5-thiadiazol-3-yl)sulfanyl]acetate
CID 43808375
N-methyl-2-[(3-methyl-2-pyridinyl)sulfanyl]acetamide
CID 130638391
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
2-[(3-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309761
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
[2-(2-oxopropylsulfanyl)-3-pyridinyl] acetate
CID 155587288

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate (CID 163170012) is methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate is COC(=O)CSc1ncccc1N(O)O.
What is the InChIKey of methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate?
The InChIKey is UYYUSXGJPJTBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-14-7(11)5-15-8-6(10(12)13)3-2-4-9-8/h2-4,12-13H,5H2,1H3.
What are the key properties of methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate?
methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate has a molecular weight of 230.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate is sourced from PubChem (CID 163170012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).