N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine

C11H24N2OS — CID 114399810

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
SMILESCCSCCNCC1CN(CC)CCO1
InChIInChI=1S/C11H24N2OS/c1-3-13-6-7-14-11(10-13)9-12-5-8-15-4-2/h11-12H,3-10H2,1-2H3
InChIKeyDUXSVVSKWLVGSU-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.05
Rot. Bonds7

About N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine

N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine (PubChem CID 114399810) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
PubChem CID114399810
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
SMILESCCSCCNCC1CN(CC)CCO1
InChIInChI=1S/C11H24N2OS/c1-3-13-6-7-14-11(10-13)9-12-5-8-15-4-2/h11-12H,3-10H2,1-2H3
InChIKeyDUXSVVSKWLVGSU-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
2-[2-(dimethylamino)ethoxy]-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 114127523
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine (CID 114399810) is N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine is CCSCCNCC1CN(CC)CCO1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine?
The InChIKey is DUXSVVSKWLVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-13-6-7-14-11(10-13)9-12-5-8-15-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine?
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine has a molecular weight of 232.39 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine is sourced from PubChem (CID 114399810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).