4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine

C9H19NOS3 — CID 134232913

IUPAC4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine
SMILESCC(C)(SS)SCCN1CCOCC1
InChIInChI=1S/C9H19NOS3/c1-9(2,14-12)13-8-5-10-3-6-11-7-4-10/h12H,3-8H2,1-2H3
InChIKeyKPCZTQOHSPKNNK-UHFFFAOYSA-N
MW253.46 g/mol
LogP2.37
Rot. Bonds5

About 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine

4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine (PubChem CID 134232913) has the molecular formula C9H19NOS3 and a molecular weight of 253.46 g/mol. Its IUPAC name is 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine
PubChem CID134232913
Molecular FormulaC9H19NOS3
Molecular Weight253.46 g/mol
Exact Mass253.06
IUPAC Name4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine
SMILESCC(C)(SS)SCCN1CCOCC1
InChIInChI=1S/C9H19NOS3/c1-9(2,14-12)13-8-5-10-3-6-11-7-4-10/h12H,3-8H2,1-2H3
InChIKeyKPCZTQOHSPKNNK-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine
CID 118259793
4-(3-methylsulfanylpropyl)morpholine
CID 2247110
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
2-morpholin-4-ylethyl thiocyanate
CID 59595122
4-(2-isocyanosulfanylethyl)morpholine
CID 151698535
4-[2-(3,3,6-trimethylheptyldisulfanyl)ethyl]morpholine
CID 126560737
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
ethane;4-propylmorpholine
CID 143004992
4-propylmorpholine;hydrobromide
CID 70540609
2-morpholin-4-ylethanethiol;sulfane
CID 143821925

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine (CID 134232913) is 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine is CC(C)(SS)SCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine?
The InChIKey is KPCZTQOHSPKNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS3/c1-9(2,14-12)13-8-5-10-3-6-11-7-4-10/h12H,3-8H2,1-2H3.
What are the key properties of 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine?
4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine has a molecular weight of 253.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 134232913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).