N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine

C17H34N2O2S — CID 153295818

IUPACN-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine
SMILESC=CCCCCCC(C=C)CCCCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C17H34N2O2S/c1-6-8-9-10-11-14-17(7-2)15-12-13-16-19(5)22(20,21)18(3)4/h6-7,17H,1-2,8-16H2,3-5H3
InChIKeyZXAXVYVFVSMQOS-UHFFFAOYSA-N
MW330.54 g/mol
LogP3.83
Rot. Bonds14

About N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine

N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine (PubChem CID 153295818) has the molecular formula C17H34N2O2S and a molecular weight of 330.54 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine
PubChem CID153295818
Molecular FormulaC17H34N2O2S
Molecular Weight330.54 g/mol
Exact Mass330.23
IUPAC NameN-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine
SMILESC=CCCCCCC(C=C)CCCCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C17H34N2O2S/c1-6-8-9-10-11-14-17(7-2)15-12-13-16-19(5)22(20,21)18(3)4/h6-7,17H,1-2,8-16H2,3-5H3
InChIKeyZXAXVYVFVSMQOS-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.83
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'}

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Related Compounds

N-methyl-N-pent-4-enylmethanesulfonamide
CID 115640453
N-iodo-N-methyloct-7-en-1-amine
CID 170105765
2-propyldodec-11-enal
CID 142653916
6-ethenyldecanal
CID 18790893
25-methylhexacos-1-ene
CID 141407501
11-bromohenicosa-1,20-diene
CID 102253799
26-methylheptacos-1-ene
CID 154926473
10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
ethyl tricosa-1,22-diene-12-sulfonate
CID 101474385
5-non-8-enyltetradec-13-enal
CID 155605589
2-methylundec-10-enal
CID 547085

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine?
The IUPAC name of N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine (CID 153295818) is N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine.
What is the SMILES notation for N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine?
The canonical SMILES for N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine is C=CCCCCCC(C=C)CCCCN(C)S(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine?
The InChIKey is ZXAXVYVFVSMQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2S/c1-6-8-9-10-11-14-17(7-2)15-12-13-16-19(5)22(20,21)18(3)4/h6-7,17H,1-2,8-16H2,3-5H3.
What are the key properties of N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine?
N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine has a molecular weight of 330.54 g/mol, XLogP of 3.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-5-ethenyl-N-methyldodec-11-en-1-amine is sourced from PubChem (CID 153295818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).