4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine

C18H37NS — CID 118887812

IUPAC4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine
SMILESCCC(CCCCCN1CCSCC1)CCC(C)(C)C
InChIInChI=1S/C18H37NS/c1-5-17(10-11-18(2,3)4)9-7-6-8-12-19-13-15-20-16-14-19/h17H,5-16H2,1-4H3
InChIKeyIYLZVMFVVVWQNE-UHFFFAOYSA-N
MW299.57 g/mol
LogP5.45
Rot. Bonds9

About 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine

4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine (PubChem CID 118887812) has the molecular formula C18H37NS and a molecular weight of 299.57 g/mol. Its IUPAC name is 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine.

Molecular Properties

Compound Name4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine
PubChem CID118887812
Molecular FormulaC18H37NS
Molecular Weight299.57 g/mol
Exact Mass299.26
IUPAC Name4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine
SMILESCCC(CCCCCN1CCSCC1)CCC(C)(C)C
InChIInChI=1S/C18H37NS/c1-5-17(10-11-18(2,3)4)9-7-6-8-12-19-13-15-20-16-14-19/h17H,5-16H2,1-4H3
InChIKeyIYLZVMFVVVWQNE-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5,5-Dimethylhexyl)thiomorpholine
CID 58974868
4-(7-Methyloctyl)thiomorpholine
CID 59000950
4-(6-Methylheptyl)thiomorpholine
CID 59001011
4-(6,6-Dimethylheptyl)thiomorpholine
CID 68070185
4-(4-Ethylhexyl)thiomorpholine
CID 68983454
4-[4-(4-Methylcyclohexyl)butyl]thiomorpholine
CID 91567293
4-(9,9-Dimethyldecyl)thiomorpholine
CID 118887392
4-(11,11-Dimethyldodecyl)thiomorpholine
CID 118887408
4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887662
4-[(4R)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
CID 118887664
4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
CID 118887736
4-[(5R)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
CID 118887737

Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine?
The IUPAC name of 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine (CID 118887812) is 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine.
What is the SMILES notation for 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine?
The canonical SMILES for 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine is CCC(CCCCCN1CCSCC1)CCC(C)(C)C.
What is the InChIKey of 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine?
The InChIKey is IYLZVMFVVVWQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NS/c1-5-17(10-11-18(2,3)4)9-7-6-8-12-19-13-15-20-16-14-19/h17H,5-16H2,1-4H3.
What are the key properties of 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine?
4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine has a molecular weight of 299.57 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-6-ethyl-9,9-dimethyldecyl]thiomorpholine is sourced from PubChem (CID 118887812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).