2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine

C11H24N2OS — CID 43249606

IUPAC2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine
SMILESCC(C)CN1CCOC(CSCCN)C1
InChIInChI=1S/C11H24N2OS/c1-10(2)7-13-4-5-14-11(8-13)9-15-6-3-12/h10-11H,3-9,12H2,1-2H3
InChIKeyKCYWURDSMMEEQW-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.04
Rot. Bonds6

About 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine

2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine (PubChem CID 43249606) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine
PubChem CID43249606
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine
SMILESCC(C)CN1CCOC(CSCCN)C1
InChIInChI=1S/C11H24N2OS/c1-10(2)7-13-4-5-14-11(8-13)9-15-6-3-12/h10-11H,3-9,12H2,1-2H3
InChIKeyKCYWURDSMMEEQW-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine?
The IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine (CID 43249606) is 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine?
The canonical SMILES for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine is CC(C)CN1CCOC(CSCCN)C1.
What is the InChIKey of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine?
The InChIKey is KCYWURDSMMEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-10(2)7-13-4-5-14-11(8-13)9-15-6-3-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine?
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine has a molecular weight of 232.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]ethanamine is sourced from PubChem (CID 43249606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).