4-(2-isocyanosulfanylethyl)morpholine

C7H12N2OS — CID 151698535

IUPAC4-(2-isocyanosulfanylethyl)morpholine
SMILES[C-]#[N+]SCCN1CCOCC1
InChIInChI=1S/C7H12N2OS/c1-8-11-7-4-9-2-5-10-6-3-9/h2-7H2
InChIKeyREBWIAAZUPMKGU-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.89
Rot. Bonds3

About 4-(2-isocyanosulfanylethyl)morpholine

4-(2-isocyanosulfanylethyl)morpholine (PubChem CID 151698535) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(2-isocyanosulfanylethyl)morpholine.

Molecular Properties

Compound Name4-(2-isocyanosulfanylethyl)morpholine
PubChem CID151698535
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(2-isocyanosulfanylethyl)morpholine
SMILES[C-]#[N+]SCCN1CCOCC1
InChIInChI=1S/C7H12N2OS/c1-8-11-7-4-9-2-5-10-6-3-9/h2-7H2
InChIKeyREBWIAAZUPMKGU-UHFFFAOYSA-N
XLogP0.89
TPSA16.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxysulfanylethyl)morpholine
CID 166162246
2-morpholin-4-ylethyl thiocyanate
CID 59595122
4-[2-(2,2-dimethylpropyldisulfanyl)ethyl]morpholine
CID 118259793
4-(3-methylsulfanylpropyl)morpholine
CID 2247110
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
2-morpholin-4-ylethyl N'-aminocarbamimidothioate
CID 77060850
4-[2-[2-(disulfanyl)propan-2-ylsulfanyl]ethyl]morpholine
CID 134232913
2-morpholin-4-ylethyl piperazine-1-carbodithioate
CID 125486501
4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine
CID 53443686
2-morpholin-4-ylethanethiol;sulfane
CID 143821925

Frequently Asked Questions

What is the IUPAC name of 4-(2-isocyanosulfanylethyl)morpholine?
The IUPAC name of 4-(2-isocyanosulfanylethyl)morpholine (CID 151698535) is 4-(2-isocyanosulfanylethyl)morpholine.
What is the SMILES notation for 4-(2-isocyanosulfanylethyl)morpholine?
The canonical SMILES for 4-(2-isocyanosulfanylethyl)morpholine is [C-]#[N+]SCCN1CCOCC1.
What is the InChIKey of 4-(2-isocyanosulfanylethyl)morpholine?
The InChIKey is REBWIAAZUPMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-8-11-7-4-9-2-5-10-6-3-9/h2-7H2.
What are the key properties of 4-(2-isocyanosulfanylethyl)morpholine?
4-(2-isocyanosulfanylethyl)morpholine has a molecular weight of 172.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-isocyanosulfanylethyl)morpholine is sourced from PubChem (CID 151698535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).