N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine

C12H26N2O3S — CID 54989669

IUPACN-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
SMILESCCCOC1CCCN(S(=O)(=O)CCNCC)C1
InChIInChI=1S/C12H26N2O3S/c1-3-9-17-12-6-5-8-14(11-12)18(15,16)10-7-13-4-2/h12-13H,3-11H2,1-2H3
InChIKeyKSXWIXBJDOMOHU-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds8

About N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine

N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine (PubChem CID 54989669) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
PubChem CID54989669
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
SMILESCCCOC1CCCN(S(=O)(=O)CCNCC)C1
InChIInChI=1S/C12H26N2O3S/c1-3-9-17-12-6-5-8-14(11-12)18(15,16)10-7-13-4-2/h12-13H,3-11H2,1-2H3
InChIKeyKSXWIXBJDOMOHU-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
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

1-(bromomethylsulfonyl)-3-propoxypiperidine
CID 83086360
(3R)-3-butoxy-1-methylsulfonylpiperidine
CID 134553424
2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114798317
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine
CID 66371474
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80997543
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
1-(2-bromo-4-methylphenyl)sulfonyl-3-propoxypiperidine
CID 61169572
1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
CID 61170930
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-ethylpropan-1-amine
CID 113336371

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine?
The IUPAC name of N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine (CID 54989669) is N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine.
What is the SMILES notation for N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine?
The canonical SMILES for N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine is CCCOC1CCCN(S(=O)(=O)CCNCC)C1.
What is the InChIKey of N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine?
The InChIKey is KSXWIXBJDOMOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-9-17-12-6-5-8-14(11-12)18(15,16)10-7-13-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine?
N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine has a molecular weight of 278.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine is sourced from PubChem (CID 54989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).