3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine

C13H22N4O2S — CID 62156935

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCN(C)CC1CCN(S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)10-11-5-8-17(9-6-11)20(18,19)12-4-3-7-15-13(12)14/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15)
InChIKeyRBPKMTRVOOYBOF-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.63
Rot. Bonds4

About 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine

3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 62156935) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
PubChem CID62156935
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCN(C)CC1CCN(S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)10-11-5-8-17(9-6-11)20(18,19)12-4-3-7-15-13(12)14/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15)
InChIKeyRBPKMTRVOOYBOF-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

3-(4-methoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 62145337
2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 63234934
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62992089
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
4-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156937
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79188499
2-amino-N-(cyclohexylmethyl)-N-methylpyridine-3-sulfonamide
CID 62151896
1-[(2-amino-3-pyridinyl)sulfonyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056977
(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 107213209
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
CID 65425898
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 62157571

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine (CID 62156935) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine is CN(C)CC1CCN(S(=O)(=O)c2cccnc2N)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is RBPKMTRVOOYBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)10-11-5-8-17(9-6-11)20(18,19)12-4-3-7-15-13(12)14/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine?
3-[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 3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 62156935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).