3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine

C12H21N3O2S — CID 113494502

IUPAC3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCS(=O)(=O)CC(C)Nc1cnccc1N(C)C
InChIInChI=1S/C12H21N3O2S/c1-5-18(16,17)9-10(2)14-11-8-13-7-6-12(11)15(3)4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyFSHTUWGSSCXGPR-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.38
Rot. Bonds6

About 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 113494502) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID113494502
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCS(=O)(=O)CC(C)Nc1cnccc1N(C)C
InChIInChI=1S/C12H21N3O2S/c1-5-18(16,17)9-10(2)14-11-8-13-7-6-12(11)15(3)4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyFSHTUWGSSCXGPR-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
CID 43678643
4-N,4-N-dimethyl-3-N-(6,6,6-trifluorohexan-2-yl)pyridine-3,4-diamine
CID 116534255
3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678466
methyl 2-[[4-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 115352484
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420
3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667
3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678675
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 61051789
N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
CID 115922122
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine (CID 113494502) is 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine is CCS(=O)(=O)CC(C)Nc1cnccc1N(C)C.
What is the InChIKey of 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is FSHTUWGSSCXGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-18(16,17)9-10(2)14-11-8-13-7-6-12(11)15(3)4/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 271.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 113494502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).