1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine

C12H18N2O3S — CID 114938191

IUPAC1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O3S/c1-13-12(10-5-6-18(15,16)8-10)9-3-4-11(17-2)14-7-9/h3-4,7,10,12-13H,5-6,8H2,1-2H3
InChIKeyUAAWLMKNUGAXPT-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.79
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine

1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 114938191) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID114938191
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O3S/c1-13-12(10-5-6-18(15,16)8-10)9-3-4-11(17-2)14-7-9/h3-4,7,10,12-13H,5-6,8H2,1-2H3
InChIKeyUAAWLMKNUGAXPT-UHFFFAOYSA-N
XLogP0.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115336731
1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 114519704
1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 115336729
1-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659431
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
1-(1,1-dioxothiolan-3-yl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 113461746
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
1-(1,1-dioxothiolan-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936682
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47220631
[(1,1-dioxothiolan-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105258954

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine (CID 114938191) is 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1ccc(OC)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is UAAWLMKNUGAXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-13-12(10-5-6-18(15,16)8-10)9-3-4-11(17-2)14-7-9/h3-4,7,10,12-13H,5-6,8H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 270.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114938191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).