3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine

C10H17N3O2S — CID 104534914

IUPAC3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
SMILESCNc1cncc(NC(C)CS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O2S/c1-8(7-16(3,14)15)13-10-4-9(11-2)5-12-6-10/h4-6,8,11,13H,7H2,1-3H3
InChIKeyREUZAEIPLHHURE-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.97
Rot. Bonds5

About 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine

3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine (PubChem CID 104534914) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
PubChem CID104534914
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
SMILESCNc1cncc(NC(C)CS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O2S/c1-8(7-16(3,14)15)13-10-4-9(11-2)5-12-6-10/h4-6,8,11,13H,7H2,1-3H3
InChIKeyREUZAEIPLHHURE-UHFFFAOYSA-N
XLogP0.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

5-N-[1-(dimethylamino)propan-2-yl]-3-N-methylpyridine-3,5-diamine
CID 104535616
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533936
4-(1-methylsulfonylpropan-2-ylamino)-1H-pyridazin-6-one
CID 114392237
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
N-(1-methylsulfonylpropan-2-yl)-4-propan-2-ylaniline
CID 64631526
N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 104533495
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 113424250
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80843830
1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine (CID 104534914) is 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine is CNc1cncc(NC(C)CS(C)(=O)=O)c1.
What is the InChIKey of 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine?
The InChIKey is REUZAEIPLHHURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(7-16(3,14)15)13-10-4-9(11-2)5-12-6-10/h4-6,8,11,13H,7H2,1-3H3.
What are the key properties of 3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine?
3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine has a molecular weight of 243.33 g/mol, XLogP of 0.97, 5 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-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104534914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).