S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate

C11H23NO4S2 — CID 167191582

IUPACS-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate
SMILESCC(C)NCCOCCOCCOCC(=O)SS
InChIInChI=1S/C11H23NO4S2/c1-10(2)12-3-4-14-5-6-15-7-8-16-9-11(13)18-17/h10,12,17H,3-9H2,1-2H3
InChIKeyLRSHDCATQPVJJU-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.14
Rot. Bonds12

About S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate

S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate (PubChem CID 167191582) has the molecular formula C11H23NO4S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate.

Molecular Properties

Compound NameS-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate
PubChem CID167191582
Molecular FormulaC11H23NO4S2
Molecular Weight297.44 g/mol
Exact Mass297.11
IUPAC NameS-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate
SMILESCC(C)NCCOCCOCCOCC(=O)SS
InChIInChI=1S/C11H23NO4S2/c1-10(2)12-3-4-14-5-6-15-7-8-16-9-11(13)18-17/h10,12,17H,3-9H2,1-2H3
InChIKeyLRSHDCATQPVJJU-UHFFFAOYSA-N
XLogP1.14
TPSA56.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate with MolForge

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Related Compounds

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
3-ethylsulfanyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 146521568
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
S-sulfanyl 3-(propan-2-ylamino)propanethioate
CID 134462355
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666

Frequently Asked Questions

What is the IUPAC name of S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate?
The IUPAC name of S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate (CID 167191582) is S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate.
What is the SMILES notation for S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate?
The canonical SMILES for S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate is CC(C)NCCOCCOCCOCC(=O)SS.
What is the InChIKey of S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate?
The InChIKey is LRSHDCATQPVJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S2/c1-10(2)12-3-4-14-5-6-15-7-8-16-9-11(13)18-17/h10,12,17H,3-9H2,1-2H3.
What are the key properties of S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate?
S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate has a molecular weight of 297.44 g/mol, XLogP of 1.14, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate is sourced from PubChem (CID 167191582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).