[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine

C12H19N3O2S — CID 71638895

IUPAC[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
SMILESCc1ccnc(S(=O)(=O)N2CCCCC2CN)c1
InChIInChI=1S/C12H19N3O2S/c1-10-5-6-14-12(8-10)18(16,17)15-7-3-2-4-11(15)9-13/h5-6,8,11H,2-4,7,9,13H2,1H3
InChIKeyRBJXCXBPKUYHGW-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.89
Rot. Bonds3

About [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine

[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine (PubChem CID 71638895) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
PubChem CID71638895
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
SMILESCc1ccnc(S(=O)(=O)N2CCCCC2CN)c1
InChIInChI=1S/C12H19N3O2S/c1-10-5-6-14-12(8-10)18(16,17)15-7-3-2-4-11(15)9-13/h5-6,8,11H,2-4,7,9,13H2,1H3
InChIKeyRBJXCXBPKUYHGW-UHFFFAOYSA-N
XLogP0.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonylpyridine-4-carbonitrile
CID 97165435
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine
CID 97163020
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine (CID 71638895) is [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine is Cc1ccnc(S(=O)(=O)N2CCCCC2CN)c1.
What is the InChIKey of [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
The InChIKey is RBJXCXBPKUYHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-5-6-14-12(8-10)18(16,17)15-7-3-2-4-11(15)9-13/h5-6,8,11H,2-4,7,9,13H2,1H3.
What are the key properties of [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 71638895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).