3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine

C15H32N2O3S — CID 116760948

IUPAC3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(CC1CCCN(S(C)(=O)=O)C1)NC
InChIInChI=1S/C15H32N2O3S/c1-6-15(7-2,20-4)14(16-3)11-13-9-8-10-17(12-13)21(5,18)19/h13-14,16H,6-12H2,1-5H3
InChIKeyJEPXYTKLMQUJRV-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.84
Rot. Bonds8

About 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine

3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine (PubChem CID 116760948) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
PubChem CID116760948
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(CC1CCCN(S(C)(=O)=O)C1)NC
InChIInChI=1S/C15H32N2O3S/c1-6-15(7-2,20-4)14(16-3)11-13-9-8-10-17(12-13)21(5,18)19/h13-14,16H,6-12H2,1-5H3
InChIKeyJEPXYTKLMQUJRV-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
3-methoxy-N,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116720079
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
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-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
The IUPAC name of 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine (CID 116760948) is 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
The canonical SMILES for 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine is CCC(CC)(OC)C(CC1CCCN(S(C)(=O)=O)C1)NC.
What is the InChIKey of 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
The InChIKey is JEPXYTKLMQUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-6-15(7-2,20-4)14(16-3)11-13-9-8-10-17(12-13)21(5,18)19/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine?
3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine has a molecular weight of 320.50 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine is sourced from PubChem (CID 116760948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).