1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C13H26N2O3S — CID 105011041

IUPAC1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCC1CCC(C(N)CC2CCCN(S(C)(=O)=O)C2)O1
InChIInChI=1S/C13H26N2O3S/c1-10-5-6-13(18-10)12(14)8-11-4-3-7-15(9-11)19(2,16)17/h10-13H,3-9,14H2,1-2H3
InChIKeyGVYQWYMPPXRRJS-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.94
Rot. Bonds4

About 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105011041) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105011041
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCC1CCC(C(N)CC2CCCN(S(C)(=O)=O)C2)O1
InChIInChI=1S/C13H26N2O3S/c1-10-5-6-13(18-10)12(14)8-11-4-3-7-15(9-11)19(2,16)17/h10-13H,3-9,14H2,1-2H3
InChIKeyGVYQWYMPPXRRJS-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011185
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166994
1-(1,1-dioxothiolan-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622150
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105011041) is 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CC1CCC(C(N)CC2CCCN(S(C)(=O)=O)C2)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is GVYQWYMPPXRRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10-5-6-13(18-10)12(14)8-11-4-3-7-15(9-11)19(2,16)17/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105011041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).