4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine

C16H33NS — CID 118887662

IUPAC4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
SMILESCCC(CCCN1CCSCC1)CCC(C)(C)C
InChIInChI=1S/C16H33NS/c1-5-15(8-9-16(2,3)4)7-6-10-17-11-13-18-14-12-17/h15H,5-14H2,1-4H3
InChIKeyLFAQQBCTHHSDQL-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.67
Rot. Bonds7

About 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine

4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine (PubChem CID 118887662) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
PubChem CID118887662
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine
SMILESCCC(CCCN1CCSCC1)CCC(C)(C)C
InChIInChI=1S/C16H33NS/c1-5-15(8-9-16(2,3)4)7-6-10-17-11-13-18-14-12-17/h15H,5-14H2,1-4H3
InChIKeyLFAQQBCTHHSDQL-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine?
The IUPAC name of 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine (CID 118887662) is 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine.
What is the SMILES notation for 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine?
The canonical SMILES for 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine is CCC(CCCN1CCSCC1)CCC(C)(C)C.
What is the InChIKey of 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine?
The InChIKey is LFAQQBCTHHSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-5-15(8-9-16(2,3)4)7-6-10-17-11-13-18-14-12-17/h15H,5-14H2,1-4H3.
What are the key properties of 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine?
4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine has a molecular weight of 271.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-4-ethyl-7,7-dimethyloctyl]thiomorpholine is sourced from PubChem (CID 118887662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).