2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine

C11H17N3O3S — CID 115320464

IUPAC2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
SMILESCOc1ccc(N)c(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H17N3O3S/c1-14(8-5-6-18(15,16)7-8)11-9(12)3-4-10(13-11)17-2/h3-4,8H,5-7,12H2,1-2H3
InChIKeyJTEZZFLHSAWQOY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.30
Rot. Bonds3

About 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine

2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine (PubChem CID 115320464) 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)-6-methoxy-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
PubChem CID115320464
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
SMILESCOc1ccc(N)c(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H17N3O3S/c1-14(8-5-6-18(15,16)7-8)11-9(12)3-4-10(13-11)17-2/h3-4,8H,5-7,12H2,1-2H3
InChIKeyJTEZZFLHSAWQOY-UHFFFAOYSA-N
XLogP0.30
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
CID 43648521
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43648541
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
1-N-(1,1-dioxothiolan-3-yl)-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63599419
N-[(3R)-1,1-dioxothiolan-3-yl]-7-methoxy-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 7749314
2-chloro-N-(1,1-dioxothiolan-3-yl)-6,7-dimethoxy-N-methylquinazolin-4-amine
CID 22692654
1-N-(1,1-dioxothiolan-3-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 43648562
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
4-N-(1,1-dioxothiolan-3-yl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80994011
ethyl 4-amino-3-[(1,1-dioxothiolan-3-yl)-methylamino]benzoate
CID 82777787
4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 107055209

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine (CID 115320464) is 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine is COc1ccc(N)c(N(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
The InChIKey is JTEZZFLHSAWQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-14(8-5-6-18(15,16)7-8)11-9(12)3-4-10(13-11)17-2/h3-4,8H,5-7,12H2,1-2H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine?
2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine has a molecular weight of 271.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 115320464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).