4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine

C17H35NS — CID 118887736

IUPAC4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
SMILESCC[C@@H](CCCCN1CCSCC1)CCC(C)(C)C
InChIInChI=1S/C17H35NS/c1-5-16(9-10-17(2,3)4)8-6-7-11-18-12-14-19-15-13-18/h16H,5-15H2,1-4H3/t16-/m0/s1
InChIKeyMCSANZNTFGJNCY-INIZCTEOSA-N
MW285.54 g/mol
LogP5.06
Rot. Bonds8

About 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine

4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine (PubChem CID 118887736) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine.

Molecular Properties

Compound Name4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
PubChem CID118887736
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC Name4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine
SMILESCC[C@@H](CCCCN1CCSCC1)CCC(C)(C)C
InChIInChI=1S/C17H35NS/c1-5-16(9-10-17(2,3)4)8-6-7-11-18-12-14-19-15-13-18/h16H,5-15H2,1-4H3/t16-/m0/s1
InChIKeyMCSANZNTFGJNCY-INIZCTEOSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine?
The IUPAC name of 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine (CID 118887736) is 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine.
What is the SMILES notation for 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine?
The canonical SMILES for 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine is CC[C@@H](CCCCN1CCSCC1)CCC(C)(C)C.
What is the InChIKey of 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine?
The InChIKey is MCSANZNTFGJNCY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H35NS/c1-5-16(9-10-17(2,3)4)8-6-7-11-18-12-14-19-15-13-18/h16H,5-15H2,1-4H3/t16-/m0/s1.
What are the key properties of 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine?
4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine has a molecular weight of 285.54 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-ethyl-8,8-dimethylnonyl]thiomorpholine is sourced from PubChem (CID 118887736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).