2-propan-2-yl-6-undecylthiomorpholine

C18H37NS — CID 134220009

IUPAC2-propan-2-yl-6-undecylthiomorpholine
SMILESCCCCCCCCCCCC1CNCC(C(C)C)S1
InChIInChI=1S/C18H37NS/c1-4-5-6-7-8-9-10-11-12-13-17-14-19-15-18(20-17)16(2)3/h16-19H,4-15H2,1-3H3
InChIKeyYUSPVRIYNAGXJH-UHFFFAOYSA-N
MW299.57 g/mol
LogP5.64
Rot. Bonds11

About 2-propan-2-yl-6-undecylthiomorpholine

2-propan-2-yl-6-undecylthiomorpholine (PubChem CID 134220009) has the molecular formula C18H37NS and a molecular weight of 299.57 g/mol. Its IUPAC name is 2-propan-2-yl-6-undecylthiomorpholine.

Molecular Properties

Compound Name2-propan-2-yl-6-undecylthiomorpholine
PubChem CID134220009
Molecular FormulaC18H37NS
Molecular Weight299.57 g/mol
Exact Mass299.26
IUPAC Name2-propan-2-yl-6-undecylthiomorpholine
SMILESCCCCCCCCCCCC1CNCC(C(C)C)S1
InChIInChI=1S/C18H37NS/c1-4-5-6-7-8-9-10-11-12-13-17-14-19-15-18(20-17)16(2)3/h16-19H,4-15H2,1-3H3
InChIKeyYUSPVRIYNAGXJH-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.57
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propan-2-yl-6-undecylthiomorpholine?
The IUPAC name of 2-propan-2-yl-6-undecylthiomorpholine (CID 134220009) is 2-propan-2-yl-6-undecylthiomorpholine.
What is the SMILES notation for 2-propan-2-yl-6-undecylthiomorpholine?
The canonical SMILES for 2-propan-2-yl-6-undecylthiomorpholine is CCCCCCCCCCCC1CNCC(C(C)C)S1.
What is the InChIKey of 2-propan-2-yl-6-undecylthiomorpholine?
The InChIKey is YUSPVRIYNAGXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NS/c1-4-5-6-7-8-9-10-11-12-13-17-14-19-15-18(20-17)16(2)3/h16-19H,4-15H2,1-3H3.
What are the key properties of 2-propan-2-yl-6-undecylthiomorpholine?
2-propan-2-yl-6-undecylthiomorpholine has a molecular weight of 299.57 g/mol, XLogP of 5.64, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-undecylthiomorpholine is sourced from PubChem (CID 134220009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).