4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine

C11H24N2OS — CID 79172249

IUPAC4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
SMILESCCN1CCOC(CSCCC(C)N)C1
InChIInChI=1S/C11H24N2OS/c1-3-13-5-6-14-11(8-13)9-15-7-4-10(2)12/h10-11H,3-9,12H2,1-2H3
InChIKeyNJLDTPVZMKLEFS-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.18
Rot. Bonds6

About 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine

4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine (PubChem CID 79172249) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
PubChem CID79172249
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
SMILESCCN1CCOC(CSCCC(C)N)C1
InChIInChI=1S/C11H24N2OS/c1-3-13-5-6-14-11(8-13)9-15-7-4-10(2)12/h10-11H,3-9,12H2,1-2H3
InChIKeyNJLDTPVZMKLEFS-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.18
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

2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
CID 79171551
4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 66233245
2,4-diethylmorpholine
CID 58988021
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
(2S)-1-(2-ethylmorpholin-4-yl)propan-2-amine
CID 103934483
4-ethyl-2-propylmorpholine
CID 127673597
2-[(4-ethylmorpholin-2-yl)methylsulfinyl]propan-1-amine
CID 81187355
4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79527456
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
[5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 79172247

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine (CID 79172249) is 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine is CCN1CCOC(CSCCC(C)N)C1.
What is the InChIKey of 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
The InChIKey is NJLDTPVZMKLEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-13-5-6-14-11(8-13)9-15-7-4-10(2)12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine?
4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine has a molecular weight of 232.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 79172249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).