N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine

C11H17N3O2S — CID 114475447

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCC2CCS(=O)(=O)C2)nc1C
InChIInChI=1S/C11H17N3O2S/c1-8-9(2)14-11(6-12-8)13-5-10-3-4-17(15,16)7-10/h6,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyIOXQMLGDKQOKEO-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.94
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114475447) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114475447
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCC2CCS(=O)(=O)C2)nc1C
InChIInChI=1S/C11H17N3O2S/c1-8-9(2)14-11(6-12-8)13-5-10-3-4-17(15,16)7-10/h6,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyIOXQMLGDKQOKEO-UHFFFAOYSA-N
XLogP0.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 106126001
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130416
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107414033
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80908878
N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80907896
2,6-ditert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyrimidin-4-amine
CID 133367935
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80822810
2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80964275

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine (CID 114475447) is N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCC2CCS(=O)(=O)C2)nc1C.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is IOXQMLGDKQOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-9(2)14-11(6-12-8)13-5-10-3-4-17(15,16)7-10/h6,10H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 0.94, 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)methyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114475447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).