3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine

C8H13N3O2S — CID 104540004

IUPAC3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
SMILESCS(=O)(=O)CCNc1cccnc1N
InChIInChI=1S/C8H13N3O2S/c1-14(12,13)6-5-10-7-3-2-4-11-8(7)9/h2-4,10H,5-6H2,1H3,(H2,9,11)
InChIKeyFUCAJHIEJNBTKC-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.12
Rot. Bonds4

About 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine

3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine (PubChem CID 104540004) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
PubChem CID104540004
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
SMILESCS(=O)(=O)CCNc1cccnc1N
InChIInChI=1S/C8H13N3O2S/c1-14(12,13)6-5-10-7-3-2-4-11-8(7)9/h2-4,10H,5-6H2,1H3,(H2,9,11)
InChIKeyFUCAJHIEJNBTKC-UHFFFAOYSA-N
XLogP0.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
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2-iodo-N-(2-methylsulfonylethyl)aniline
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3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-N-[3-[2-(4-methylsulfonylphenyl)propylamino]propyl]pyridine-2,3-diamine
CID 176990317
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
benzene;3-N-[3-[2-(4-methylsulfonylphenyl)propylamino]propyl]pyridine-2,3-diamine
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3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine (CID 104540004) is 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine is CS(=O)(=O)CCNc1cccnc1N.
What is the InChIKey of 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
The InChIKey is FUCAJHIEJNBTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-14(12,13)6-5-10-7-3-2-4-11-8(7)9/h2-4,10H,5-6H2,1H3,(H2,9,11).
What are the key properties of 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine?
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine has a molecular weight of 215.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 104540004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).