N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C15H30N2O3S — CID 105011091

IUPACN-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCNC(CC1CCCN(S(C)(=O)=O)C1)C1OCCC1C
InChIInChI=1S/C15H30N2O3S/c1-4-16-14(15-12(2)7-9-20-15)10-13-6-5-8-17(11-13)21(3,18)19/h12-16H,4-11H2,1-3H3
InChIKeyYDJUCNHBYZIGCP-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.45
Rot. Bonds6

About N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105011091) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105011091
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCNC(CC1CCCN(S(C)(=O)=O)C1)C1OCCC1C
InChIInChI=1S/C15H30N2O3S/c1-4-16-14(15-12(2)7-9-20-15)10-13-6-5-8-17(11-13)21(3,18)19/h12-16H,4-11H2,1-3H3
InChIKeyYDJUCNHBYZIGCP-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011185
N-[1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-1-amine
CID 79622196
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229386
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105011091) is N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CCNC(CC1CCCN(S(C)(=O)=O)C1)C1OCCC1C.
What is the InChIKey of N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is YDJUCNHBYZIGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-4-16-14(15-12(2)7-9-20-15)10-13-6-5-8-17(11-13)21(3,18)19/h12-16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 318.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105011091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).