4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine

C9H15N3O2S — CID 64630420

IUPAC4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
SMILESCC(CS(C)(=O)=O)Nc1ccncc1N
InChIInChI=1S/C9H15N3O2S/c1-7(6-15(2,13)14)12-9-3-4-11-5-8(9)10/h3-5,7H,6,10H2,1-2H3,(H,11,12)
InChIKeyAEADXOIUSLBEFM-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.51
Rot. Bonds4

About 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine

4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine (PubChem CID 64630420) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
PubChem CID64630420
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
SMILESCC(CS(C)(=O)=O)Nc1ccncc1N
InChIInChI=1S/C9H15N3O2S/c1-7(6-15(2,13)14)12-9-3-4-11-5-8(9)10/h3-5,7H,6,10H2,1-2H3,(H,11,12)
InChIKeyAEADXOIUSLBEFM-UHFFFAOYSA-N
XLogP0.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
CID 63926910
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
CID 104827419
4-methylsulfonyl-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 64630594
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 113494502
4-N-(4-phenylmethoxybutan-2-yl)pyridine-3,4-diamine
CID 166432739
4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine
CID 130481643
4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
CID 64629810
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine (CID 64630420) is 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine is CC(CS(C)(=O)=O)Nc1ccncc1N.
What is the InChIKey of 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine?
The InChIKey is AEADXOIUSLBEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(6-15(2,13)14)12-9-3-4-11-5-8(9)10/h3-5,7H,6,10H2,1-2H3,(H,11,12).
What are the key properties of 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine?
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine has a molecular weight of 229.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 64630420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).