2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine

C11H17N3O3S — CID 113286528

IUPAC2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H17N3O3S/c1-17-10-3-2-9(12)11(14-10)13-6-8-4-5-18(15,16)7-8/h2-3,8H,4-7,12H2,1H3,(H,13,14)
InChIKeyLZSASNWUYHBFQL-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.52
Rot. Bonds4

About 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine

2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine (PubChem CID 113286528) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine
PubChem CID113286528
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H17N3O3S/c1-17-10-3-2-9(12)11(14-10)13-6-8-4-5-18(15,16)7-8/h2-3,8H,4-7,12H2,1H3,(H,13,14)
InChIKeyLZSASNWUYHBFQL-UHFFFAOYSA-N
XLogP0.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2,3-diamine
CID 113316900
6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 113286507
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80822733
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
1-(1,1-dioxothiolan-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936682
2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 115320464
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
4-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,2-diamine
CID 115468877
2-amino-5-[(1,1-dioxothiolan-3-yl)methylamino]benzamide
CID 62132713
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylquinolin-2-amine
CID 45214315

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine (CID 113286528) is 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(NCC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine?
The InChIKey is LZSASNWUYHBFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-17-10-3-2-9(12)11(14-10)13-6-8-4-5-18(15,16)7-8/h2-3,8H,4-7,12H2,1H3,(H,13,14).
What are the key properties of 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine?
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine has a molecular weight of 271.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 113286528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).