methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane

C13H25NOS — CID 123315622

IUPACmethyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane
SMILESC=S(C)CCCC=CCCN1CCOCC1
InChIInChI=1S/C13H25NOS/c1-16(2)13-7-5-3-4-6-8-14-9-11-15-12-10-14/h3-4H,1,5-13H2,2H3
InChIKeyPEVQYVSUPKBXDP-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.38
Rot. Bonds7

About methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane

methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane (PubChem CID 123315622) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane
PubChem CID123315622
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Namemethyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane
SMILESC=S(C)CCCC=CCCN1CCOCC1
InChIInChI=1S/C13H25NOS/c1-16(2)13-7-5-3-4-6-8-14-9-11-15-12-10-14/h3-4H,1,5-13H2,2H3
InChIKeyPEVQYVSUPKBXDP-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-pent-3-enyl]morpholine
CID 142132381
4-[(Z)-non-2-enyl]morpholine
CID 101051916
4-oct-7-enylmorpholine
CID 67850758
2-morpholin-4-ylethyl (Z)-hept-5-enoate
CID 143867024
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
butane;4-butylmorpholine
CID 177152600
ethane;(Z)-1-nitrobut-2-ene;4-[(E)-pent-3-enyl]morpholine
CID 143202028
4-(2,2,11,11-tetramethyl-12-morpholin-4-yldodeca-3,9-dienyl)morpholine
CID 174958404
ethane;4-propylmorpholine
CID 143004992
4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane?
The IUPAC name of methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane (CID 123315622) is methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane?
The canonical SMILES for methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane is C=S(C)CCCC=CCCN1CCOCC1.
What is the InChIKey of methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane?
The InChIKey is PEVQYVSUPKBXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-16(2)13-7-5-3-4-6-8-14-9-11-15-12-10-14/h3-4H,1,5-13H2,2H3.
What are the key properties of methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane?
methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane has a molecular weight of 243.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(7-morpholin-4-ylhept-4-enyl)-λ4-sulfane is sourced from PubChem (CID 123315622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).