N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine

C12H26N2O3S — CID 79669032

IUPACN-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CN(CC)CCO1
InChIInChI=1S/C12H26N2O3S/c1-4-13-11(6-9-18(3,15)16)12-10-14(5-2)7-8-17-12/h11-13H,4-10H2,1-3H3
InChIKeyVPGILQVTRDGIAL-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.12
Rot. Bonds7

About N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine

N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 79669032) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID79669032
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CN(CC)CCO1
InChIInChI=1S/C12H26N2O3S/c1-4-13-11(6-9-18(3,15)16)12-10-14(5-2)7-8-17-12/h11-13H,4-10H2,1-3H3
InChIKeyVPGILQVTRDGIAL-UHFFFAOYSA-N
XLogP0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-ethylmorpholin-2-yl)-4-methylpentan-1-amine
CID 79669723
N-ethyl-1-(4-ethylmorpholin-2-yl)-4,4-dimethylpentan-1-amine
CID 79669489
N-ethyl-1-(4-ethylmorpholin-2-yl)pent-3-yn-1-amine
CID 79668802
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824289
N-[cyclopropyl-(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79669495
N-ethyl-1-(4-ethylmorpholin-2-yl)-2,2-dimethylpropan-1-amine
CID 79668725
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
1-(4-ethylmorpholin-2-yl)propylhydrazine
CID 105247603
N-[cyclopentyl-(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79669575
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050180
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
N-[cycloheptyl-(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 82932506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine (CID 79669032) is N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)C1CN(CC)CCO1.
What is the InChIKey of N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is VPGILQVTRDGIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-13-11(6-9-18(3,15)16)12-10-14(5-2)7-8-17-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine?
N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylmorpholin-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79669032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).