4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine

C13H22N4O2S — CID 62156937

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCN(C)CC1CCN(S(=O)(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)10-11-4-7-17(8-5-11)20(18,19)12-3-6-15-13(14)9-12/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyLTYVNPSDUOQIJZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.63
Rot. Bonds4

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 62156937) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
PubChem CID62156937
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCN(C)CC1CCN(S(=O)(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)10-11-4-7-17(8-5-11)20(18,19)12-3-6-15-13(14)9-12/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyLTYVNPSDUOQIJZ-UHFFFAOYSA-N
XLogP0.63
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62206687
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
5-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonyl-2-fluoroaniline
CID 61140049
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 62152115
3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156935
4-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62145270
2-amino-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-sulfonamide
CID 64522432
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine (CID 62156937) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine is CN(C)CC1CCN(S(=O)(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is LTYVNPSDUOQIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)10-11-4-7-17(8-5-11)20(18,19)12-3-6-15-13(14)9-12/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H2,14,15).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 62156937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).