[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine

C14H23N3O2S — CID 114960930

IUPAC[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)CCc2ccccn2)CC1CN
InChIInChI=1S/C14H23N3O2S/c1-12-5-8-17(11-13(12)10-15)20(18,19)9-6-14-4-2-3-7-16-14/h2-4,7,12-13H,5-6,8-11,15H2,1H3
InChIKeyYBFYRXNOBRRVQA-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.87
Rot. Bonds5

About [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine

[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine (PubChem CID 114960930) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
PubChem CID114960930
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)CCc2ccccn2)CC1CN
InChIInChI=1S/C14H23N3O2S/c1-12-5-8-17(11-13(12)10-15)20(18,19)9-6-14-4-2-3-7-16-14/h2-4,7,12-13H,5-6,8-11,15H2,1H3
InChIKeyYBFYRXNOBRRVQA-UHFFFAOYSA-N
XLogP0.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
2-[1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681749

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine (CID 114960930) is [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine is CC1CCN(S(=O)(=O)CCc2ccccn2)CC1CN.
What is the InChIKey of [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine?
The InChIKey is YBFYRXNOBRRVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-5-8-17(11-13(12)10-15)20(18,19)9-6-14-4-2-3-7-16-14/h2-4,7,12-13H,5-6,8-11,15H2,1H3.
What are the key properties of [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine?
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114960930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).