6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine

C13H21N3O2S — CID 80789903

IUPAC6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C13H21N3O2S/c1-3-8-14-12-5-4-6-13(15-12)16(2)11-7-9-19(17,18)10-11/h4-6,11H,3,7-10H2,1-2H3,(H,14,15)
InChIKeyZGIMFAXBXGUNLK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.53
Rot. Bonds5

About 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine

6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine (PubChem CID 80789903) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine
PubChem CID80789903
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C13H21N3O2S/c1-3-8-14-12-5-4-6-13(15-12)16(2)11-7-9-19(17,18)10-11/h4-6,11H,3,7-10H2,1-2H3,(H,14,15)
InChIKeyZGIMFAXBXGUNLK-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine with MolForge

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Related Compounds

6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789572
6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 62282621
6-N-butyl-4-N-(1,1-dioxothiolan-3-yl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112867879
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282100
N-[3-chloro-2-(propylaminomethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648945
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867221
N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
CID 43648827
3-N-butyl-5-N-(1,1-dioxothiolan-3-yl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112940114
6-N-cycloheptyl-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 80790042
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
6-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870544
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine (CID 80789903) is 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(N(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is ZGIMFAXBXGUNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-8-14-12-5-4-6-13(15-12)16(2)11-7-9-19(17,18)10-11/h4-6,11H,3,7-10H2,1-2H3,(H,14,15).
What are the key properties of 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine?
6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 283.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80789903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).