N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine

C14H23N3O2S — CID 114599573

IUPACN-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C14H23N3O2S/c1-3-15-10-12-6-5-9-17(11-12)14-13(20(2,18)19)7-4-8-16-14/h4,7-8,12,15H,3,5-6,9-11H2,1-2H3
InChIKeyICPBOWYQAWLUHO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.31
Rot. Bonds5

About N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine

N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 114599573) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
PubChem CID114599573
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2ncccc2S(C)(=O)=O)C1
InChIInChI=1S/C14H23N3O2S/c1-3-15-10-12-6-5-9-17(11-12)14-13(20(2,18)19)7-4-8-16-14/h4,7-8,12,15H,3,5-6,9-11H2,1-2H3
InChIKeyICPBOWYQAWLUHO-UHFFFAOYSA-N
XLogP1.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
CID 114598203
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344
[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256468
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine (CID 114599573) is N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(c2ncccc2S(C)(=O)=O)C1.
What is the InChIKey of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is ICPBOWYQAWLUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-15-10-12-6-5-9-17(11-12)14-13(20(2,18)19)7-4-8-16-14/h4,7-8,12,15H,3,5-6,9-11H2,1-2H3.
What are the key properties of N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 114599573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).