N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine

C12H26N2O3S — CID 115919948

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
SMILESCCN1CCOC(CNC(C)CS(=O)(=O)CC)C1
InChIInChI=1S/C12H26N2O3S/c1-4-14-6-7-17-12(9-14)8-13-11(3)10-18(15,16)5-2/h11-13H,4-10H2,1-3H3
InChIKeyXQPLNMHXWVKZHN-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.12
Rot. Bonds7

About N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine

N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine (PubChem CID 115919948) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
PubChem CID115919948
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
SMILESCCN1CCOC(CNC(C)CS(=O)(=O)CC)C1
InChIInChI=1S/C12H26N2O3S/c1-4-14-6-7-17-12(9-14)8-13-11(3)10-18(15,16)5-2/h11-13H,4-10H2,1-3H3
InChIKeyXQPLNMHXWVKZHN-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

3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[(4-ethylmorpholin-2-yl)methyl]-6-methylheptan-2-amine
CID 79166729
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
1-cyclopropyl-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 79166353
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 115919969
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 115623786
N-[(4-ethylmorpholin-2-yl)methyl]-1-methoxybutan-2-amine
CID 79164627
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine (CID 115919948) is N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine is CCN1CCOC(CNC(C)CS(=O)(=O)CC)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine?
The InChIKey is XQPLNMHXWVKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-14-6-7-17-12(9-14)8-13-11(3)10-18(15,16)5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-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-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115919948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).