4-(3-ethyl-3-methylnonyl)thiomorpholine

C16H33NS — CID 134441386

IUPAC4-(3-ethyl-3-methylnonyl)thiomorpholine
SMILESCCCCCCC(C)(CC)CCN1CCSCC1
InChIInChI=1S/C16H33NS/c1-4-6-7-8-9-16(3,5-2)10-11-17-12-14-18-15-13-17/h4-15H2,1-3H3
InChIKeyICMAXHLCSUMNTP-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.81
Rot. Bonds9

About 4-(3-ethyl-3-methylnonyl)thiomorpholine

4-(3-ethyl-3-methylnonyl)thiomorpholine (PubChem CID 134441386) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 4-(3-ethyl-3-methylnonyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-ethyl-3-methylnonyl)thiomorpholine
PubChem CID134441386
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name4-(3-ethyl-3-methylnonyl)thiomorpholine
SMILESCCCCCCC(C)(CC)CCN1CCSCC1
InChIInChI=1S/C16H33NS/c1-4-6-7-8-9-16(3,5-2)10-11-17-12-14-18-15-13-17/h4-15H2,1-3H3
InChIKeyICMAXHLCSUMNTP-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.81
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-(3-ethyl-3-methylnonyl)thiomorpholine?
The IUPAC name of 4-(3-ethyl-3-methylnonyl)thiomorpholine (CID 134441386) is 4-(3-ethyl-3-methylnonyl)thiomorpholine.
What is the SMILES notation for 4-(3-ethyl-3-methylnonyl)thiomorpholine?
The canonical SMILES for 4-(3-ethyl-3-methylnonyl)thiomorpholine is CCCCCCC(C)(CC)CCN1CCSCC1.
What is the InChIKey of 4-(3-ethyl-3-methylnonyl)thiomorpholine?
The InChIKey is ICMAXHLCSUMNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-4-6-7-8-9-16(3,5-2)10-11-17-12-14-18-15-13-17/h4-15H2,1-3H3.
What are the key properties of 4-(3-ethyl-3-methylnonyl)thiomorpholine?
4-(3-ethyl-3-methylnonyl)thiomorpholine has a molecular weight of 271.51 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-3-methylnonyl)thiomorpholine is sourced from PubChem (CID 134441386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).