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

C13H26N2O3S — CID 63880149

IUPACN-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-2-14-10-12-4-3-7-15(11-12)19(16,17)13-5-8-18-9-6-13/h12-14H,2-11H2,1H3
InChIKeyAAARELSIFNZGIE-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds5

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

N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 63880149) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
PubChem CID63880149
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C13H26N2O3S/c1-2-14-10-12-4-3-7-15(11-12)19(16,17)13-5-8-18-9-6-13/h12-14H,2-11H2,1H3
InChIKeyAAARELSIFNZGIE-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241472
2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880331
1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62048466
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106016707
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
1-cyclopropylsulfonyl-3-(methoxymethyl)piperidine
CID 121092342

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine (CID 63880149) is N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is AAARELSIFNZGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-14-10-12-4-3-7-15(11-12)19(16,17)13-5-8-18-9-6-13/h12-14H,2-11H2,1H3.
What are the key properties of N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).