N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine

C13H25N3O2S — CID 114414172

IUPACN-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)N1CC=CCC1
InChIInChI=1S/C13H25N3O2S/c1-2-14-12-13-8-4-7-11-16(13)19(17,18)15-9-5-3-6-10-15/h3,5,13-14H,2,4,6-12H2,1H3
InChIKeyGXRCWIYQUPJCRR-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.96
Rot. Bonds5

About N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine

N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 114414172) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
PubChem CID114414172
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)N1CC=CCC1
InChIInChI=1S/C13H25N3O2S/c1-2-14-12-13-8-4-7-11-16(13)19(17,18)15-9-5-3-6-10-15/h3,5,13-14H,2,4,6-12H2,1H3
InChIKeyGXRCWIYQUPJCRR-UHFFFAOYSA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
2-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
CID 82745398
1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 103541585
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089752
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078074
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine (CID 114414172) is N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1S(=O)(=O)N1CC=CCC1.
What is the InChIKey of N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is GXRCWIYQUPJCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-2-14-12-13-8-4-7-11-16(13)19(17,18)15-9-5-3-6-10-15/h3,5,13-14H,2,4,6-12H2,1H3.
What are the key properties of N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine?
N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 114414172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).