2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine

C14H23N3O3S — CID 43648541

IUPAC2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(N(C)C2CCS(=O)(=O)C2)ccc1N
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-20-14-12(15)4-5-13(16-14)17(3)11-6-7-21(18,19)9-11/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyORSAOSKEZHLRQK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.32
Rot. Bonds5

About 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 43648541) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID43648541
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(N(C)C2CCS(=O)(=O)C2)ccc1N
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-20-14-12(15)4-5-13(16-14)17(3)11-6-7-21(18,19)9-11/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyORSAOSKEZHLRQK-UHFFFAOYSA-N
XLogP1.32
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine 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

2-N-(cyclobutylmethyl)-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 107397151
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880
2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 115320464
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754
2-N-cyclopentyl-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine
CID 43266923
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282100
2-N-butan-2-yl-2-N-ethyl-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43274239
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62975170
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62282275
2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
CID 43648521
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111199

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 43648541) is 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine is CC(C)COc1nc(N(C)C2CCS(=O)(=O)C2)ccc1N.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is ORSAOSKEZHLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)8-20-14-12(15)4-5-13(16-14)17(3)11-6-7-21(18,19)9-11/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 313.42 g/mol, XLogP of 1.32, 5 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)-2-N-methyl-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 43648541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).