(6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene

C18H36N2O2S — CID 44614165

IUPAC(6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCNS(N)(=O)=O
InChIInChI=1S/C18H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H2,19,21,22)/b7-6-,10-9-
InChIKeyDGNCNCVVPPGGNM-HZJYTTRNSA-N
MW344.57 g/mol
LogP4.59
Rot. Bonds16

About (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene

(6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene (PubChem CID 44614165) has the molecular formula C18H36N2O2S and a molecular weight of 344.57 g/mol. Its IUPAC name is (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene
PubChem CID44614165
Molecular FormulaC18H36N2O2S
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name(6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCNS(N)(=O)=O
InChIInChI=1S/C18H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H2,19,21,22)/b7-6-,10-9-
InChIKeyDGNCNCVVPPGGNM-HZJYTTRNSA-N
XLogP4.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene (CID 44614165) is (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene is CCCCC/C=C\C/C=C\CCCCCCCCNS(N)(=O)=O.
What is the InChIKey of (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene?
The InChIKey is DGNCNCVVPPGGNM-HZJYTTRNSA-N. The full InChI is InChI=1S/C18H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H2,19,21,22)/b7-6-,10-9-.
What are the key properties of (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene?
(6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene has a molecular weight of 344.57 g/mol, XLogP of 4.59, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-18-(sulfamoylamino)octadeca-6,9-diene is sourced from PubChem (CID 44614165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).