3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine

C10H17N3O2S — CID 104533920

IUPAC3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCCS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O2S/c1-11-9-6-10(8-12-7-9)13-4-3-5-16(2,14)15/h6-8,11,13H,3-5H2,1-2H3
InChIKeyZRPREEJSHPPTMZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.97
Rot. Bonds6

About 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine

3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine (PubChem CID 104533920) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
PubChem CID104533920
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCCS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O2S/c1-11-9-6-10(8-12-7-9)13-4-3-5-16(2,14)15/h6-8,11,13H,3-5H2,1-2H3
InChIKeyZRPREEJSHPPTMZ-UHFFFAOYSA-N
XLogP0.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154
3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
CID 113424266
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine (CID 104533920) is 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine is CNc1cncc(NCCCS(C)(=O)=O)c1.
What is the InChIKey of 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine?
The InChIKey is ZRPREEJSHPPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-11-9-6-10(8-12-7-9)13-4-3-5-16(2,14)15/h6-8,11,13H,3-5H2,1-2H3.
What are the key properties of 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine?
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine has a molecular weight of 243.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine is sourced from PubChem (CID 104533920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).