2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine

C12H21N3O3S — CID 64630804

IUPAC2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(CS(C)(=O)=O)Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C12H21N3O3S/c1-8(2)18-12-10(13)5-6-11(15-12)14-9(3)7-19(4,16)17/h5-6,8-9H,7,13H2,1-4H3,(H,14,15)
InChIKeyRRTYJYOUCIFMNM-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.30
Rot. Bonds6

About 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 64630804) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID64630804
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(CS(C)(=O)=O)Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C12H21N3O3S/c1-8(2)18-12-10(13)5-6-11(15-12)14-9(3)7-19(4,16)17/h5-6,8-9H,7,13H2,1-4H3,(H,14,15)
InChIKeyRRTYJYOUCIFMNM-UHFFFAOYSA-N
XLogP1.30
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine (CID 64630804) is 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine is CC(CS(C)(=O)=O)Nc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is RRTYJYOUCIFMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(2)18-12-10(13)5-6-11(15-12)14-9(3)7-19(4,16)17/h5-6,8-9H,7,13H2,1-4H3,(H,14,15).
What are the key properties of 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 287.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 64630804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).