3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine

C10H15N3S — CID 130964545

IUPAC3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine
SMILESCC1(C)SCC1Nc1cccnc1N
InChIInChI=1S/C10H15N3S/c1-10(2)8(6-14-10)13-7-4-3-5-12-9(7)11/h3-5,8,13H,6H2,1-2H3,(H2,11,12)
InChIKeyAMWJGGMXPFLJCL-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.97
Rot. Bonds2

About 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine

3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine (PubChem CID 130964545) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine
PubChem CID130964545
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine
SMILESCC1(C)SCC1Nc1cccnc1N
InChIInChI=1S/C10H15N3S/c1-10(2)8(6-14-10)13-7-4-3-5-12-9(7)11/h3-5,8,13H,6H2,1-2H3,(H2,11,12)
InChIKeyAMWJGGMXPFLJCL-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine (CID 130964545) is 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine is CC1(C)SCC1Nc1cccnc1N.
What is the InChIKey of 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine?
The InChIKey is AMWJGGMXPFLJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(2)8(6-14-10)13-7-4-3-5-12-9(7)11/h3-5,8,13H,6H2,1-2H3,(H2,11,12).
What are the key properties of 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine?
3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine has a molecular weight of 209.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethylthietan-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 130964545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).