N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine

C10H14N2O3S — CID 106503952

IUPACN-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C10H14N2O3S/c1-15-9-2-3-10(11-6-9)12-8-4-5-16(13,14)7-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeyAXDJGOPCTPMYBN-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.69
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine

N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine (PubChem CID 106503952) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
PubChem CID106503952
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C10H14N2O3S/c1-15-9-2-3-10(11-6-9)12-8-4-5-16(13,14)7-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,12)
InChIKeyAXDJGOPCTPMYBN-UHFFFAOYSA-N
XLogP0.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 133424242
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158925
4-N-(1,1-dioxothiolan-3-yl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860206
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
4-N-(1,1-dioxothiolan-3-yl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872908
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
N-(azetidin-3-yl)-5-methoxypyridin-2-amine
CID 106504454
5-N-(1,1-dioxothiolan-3-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954444
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine (CID 106503952) is N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine is COc1ccc(NC2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine?
The InChIKey is AXDJGOPCTPMYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-9-2-3-10(11-6-9)12-8-4-5-16(13,14)7-8/h2-3,6,8H,4-5,7H2,1H3,(H,11,12).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine?
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine has a molecular weight of 242.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine is sourced from PubChem (CID 106503952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).