2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine

C14H28N2O4S — CID 63880331

IUPAC2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C14H28N2O4S/c1-19-10-6-15-11-13-3-2-7-16(12-13)21(17,18)14-4-8-20-9-5-14/h13-15H,2-12H2,1H3
InChIKeySZOMQSPVEBUJLI-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.44
Rot. Bonds7

About 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 63880331) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
PubChem CID63880331
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C14H28N2O4S/c1-19-10-6-15-11-13-3-2-7-16(12-13)21(17,18)14-4-8-20-9-5-14/h13-15H,2-12H2,1H3
InChIKeySZOMQSPVEBUJLI-UHFFFAOYSA-N
XLogP0.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241472
1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62048466
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
2-methoxy-N-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879120
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine
CID 107137622
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine (CID 63880331) is 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is SZOMQSPVEBUJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-19-10-6-15-11-13-3-2-7-16(12-13)21(17,18)14-4-8-20-9-5-14/h13-15H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 320.46 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63880331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).