N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine

C10H20N2O3S — CID 66371474

IUPACN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine
SMILESCCNCCS(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H20N2O3S/c1-2-11-5-6-16(13,14)12-7-9-3-4-10(8-12)15-9/h9-11H,2-8H2,1H3
InChIKeyHNDUOPQFJODEFP-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds5

About N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine

N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine (PubChem CID 66371474) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine
PubChem CID66371474
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine
SMILESCCNCCS(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C10H20N2O3S/c1-2-11-5-6-16(13,14)12-7-9-3-4-10(8-12)15-9/h9-11H,2-8H2,1H3
InChIKeyHNDUOPQFJODEFP-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66393443
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine
CID 66369759
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-ethylpropan-1-amine
CID 113336371
3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370740
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-ethylbutan-1-amine
CID 115562859
3-(chloromethylsulfonyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369919
2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114798317
N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
CID 54989669
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)acetic acid
CID 66391152
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
CID 95177772
N-[[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 66372086
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
CID 113419411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine?
The IUPAC name of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine (CID 66371474) is N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine?
The canonical SMILES for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine is CCNCCS(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine?
The InChIKey is HNDUOPQFJODEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-11-5-6-16(13,14)12-7-9-3-4-10(8-12)15-9/h9-11H,2-8H2,1H3.
What are the key properties of N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine?
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine has a molecular weight of 248.35 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine is sourced from PubChem (CID 66371474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).