N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide

C11H15N3O4S2 — CID 90073674

IUPACN-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide
SMILESCONC(=O)CSc1cccnc1SCC(=O)NOC
InChIInChI=1S/C11H15N3O4S2/c1-17-13-9(15)6-19-8-4-3-5-12-11(8)20-7-10(16)14-18-2/h3-5H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPHNXIBITIPSIR-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.62
Rot. Bonds8

About N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide

N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide (PubChem CID 90073674) has the molecular formula C11H15N3O4S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide
PubChem CID90073674
Molecular FormulaC11H15N3O4S2
Molecular Weight317.39 g/mol
Exact Mass317.05
IUPAC NameN-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide
SMILESCONC(=O)CSc1cccnc1SCC(=O)NOC
InChIInChI=1S/C11H15N3O4S2/c1-17-13-9(15)6-19-8-4-3-5-12-11(8)20-7-10(16)14-18-2/h3-5H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPHNXIBITIPSIR-UHFFFAOYSA-N
XLogP0.62
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.62
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

2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
N-methyl-2-[(3-methyl-2-pyridinyl)sulfanyl]acetamide
CID 130638391
2-[(2-tert-butyl-3-pyridinyl)sulfanyl]-N-hydroxyacetamide
CID 176994360
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
methyl 2-[[3-(dihydroxyamino)-2-pyridinyl]sulfanyl]acetate
CID 163170012
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 4130449
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 859319
propan-2-yl 2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 5226412

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide (CID 90073674) is N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide is CONC(=O)CSc1cccnc1SCC(=O)NOC.
What is the InChIKey of N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide?
The InChIKey is CPHNXIBITIPSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S2/c1-17-13-9(15)6-19-8-4-3-5-12-11(8)20-7-10(16)14-18-2/h3-5H,6-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide?
N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[[2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-3-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 90073674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).