4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol

C10H14N2O4S — CID 60884021

IUPAC4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol
SMILESCOc1ccc(NC2CS(=O)(=O)CC2O)cn1
InChIInChI=1S/C10H14N2O4S/c1-16-10-3-2-7(4-11-10)12-8-5-17(14,15)6-9(8)13/h2-4,8-9,12-13H,5-6H2,1H3
InChIKeyDGVIDYBCCSZXEI-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.34
Rot. Bonds3

About 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol

4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 60884021) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID60884021
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol
SMILESCOc1ccc(NC2CS(=O)(=O)CC2O)cn1
InChIInChI=1S/C10H14N2O4S/c1-16-10-3-2-7(4-11-10)12-8-5-17(14,15)6-9(8)13/h2-4,8-9,12-13H,5-6H2,1H3
InChIKeyDGVIDYBCCSZXEI-UHFFFAOYSA-N
XLogP-0.34
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
CID 43522838
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47220631
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
ethyl 4-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]benzoate
CID 6556767
N-cyclohex-2-en-1-yl-6-methoxypyridin-3-amine
CID 107906229
[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid
CID 11716344
3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43637684
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158
(3S,4R)-4-(3-hydroxyanilino)-1,1-dioxothiolan-3-ol
CID 7058971
6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406
2-[4-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]phenyl]acetonitrile
CID 60720933
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol (CID 60884021) is 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol is COc1ccc(NC2CS(=O)(=O)CC2O)cn1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is DGVIDYBCCSZXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-10-3-2-7(4-11-10)12-8-5-17(14,15)6-9(8)13/h2-4,8-9,12-13H,5-6H2,1H3.
What are the key properties of 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol?
4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 258.30 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60884021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).