[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine

C12H20N4O2S — CID 71638340

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCc1cc(C)nc(S(=O)(=O)N2CCCC(CN)C2)n1
InChIInChI=1S/C12H20N4O2S/c1-9-6-10(2)15-12(14-9)19(17,18)16-5-3-4-11(7-13)8-16/h6,11H,3-5,7-8,13H2,1-2H3
InChIKeyLRLNOHQLJZYYAU-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.45
Rot. Bonds3

About [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine

[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 71638340) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID71638340
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCc1cc(C)nc(S(=O)(=O)N2CCCC(CN)C2)n1
InChIInChI=1S/C12H20N4O2S/c1-9-6-10(2)15-12(14-9)19(17,18)16-5-3-4-11(7-13)8-16/h6,11H,3-5,7-8,13H2,1-2H3
InChIKeyLRLNOHQLJZYYAU-UHFFFAOYSA-N
XLogP0.45
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
CID 97164781
[(3S)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 125445860
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 125440989
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061807
3-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)piperidine-1-sulfonamide
CID 106002010

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine (CID 71638340) is [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine is Cc1cc(C)nc(S(=O)(=O)N2CCCC(CN)C2)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is LRLNOHQLJZYYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-6-10(2)15-12(14-9)19(17,18)16-5-3-4-11(7-13)8-16/h6,11H,3-5,7-8,13H2,1-2H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine?
[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 71638340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).