5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine

C10H15N3O2S — CID 104534161

IUPAC5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine
SMILESNc1cncc(NCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H15N3O2S/c11-9-3-10(6-12-5-9)13-4-8-1-2-16(14,15)7-8/h3,5-6,8,13H,1-2,4,7,11H2
InChIKeyOEALIDHFVCEQEF-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.51
Rot. Bonds3

About 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine

5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine (PubChem CID 104534161) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine
PubChem CID104534161
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine
SMILESNc1cncc(NCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H15N3O2S/c11-9-3-10(6-12-5-9)13-4-8-1-2-16(14,15)7-8/h3,5-6,8,13H,1-2,4,7,11H2
InChIKeyOEALIDHFVCEQEF-UHFFFAOYSA-N
XLogP0.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(1,1-dioxothiolan-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534160
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
2-amino-5-[(1,1-dioxothiolan-3-yl)methylamino]benzamide
CID 62132713
5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115027948
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
6-N-[(1,1-dioxothiolan-3-yl)methyl]isoquinoline-5,6-diamine
CID 106947989
4-N-[(1,1-dioxothiolan-3-yl)methyl]quinazoline-4,6-diamine
CID 64588908
4-bromo-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,2-diamine
CID 62133428
2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80964275
4-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,2-diamine
CID 115468877

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine (CID 104534161) is 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine is Nc1cncc(NCC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine?
The InChIKey is OEALIDHFVCEQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-9-3-10(6-12-5-9)13-4-8-1-2-16(14,15)7-8/h3,5-6,8,13H,1-2,4,7,11H2.
What are the key properties of 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine?
5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine has a molecular weight of 241.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).