N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide

C13H25NO2S — CID 163592778

IUPACN-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide
SMILESCC/C=C\C=C/CC(C)CC(C)NS(C)(=O)=O
InChIInChI=1S/C13H25NO2S/c1-5-6-7-8-9-10-12(2)11-13(3)14-17(4,15)16/h6-9,12-14H,5,10-11H2,1-4H3/b7-6-,9-8-
InChIKeyGQWQCPYIJYDBKB-JPDBVBESSA-N
MW259.41 g/mol
LogP2.86
Rot. Bonds8

About N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide

N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide (PubChem CID 163592778) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide
PubChem CID163592778
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide
SMILESCC/C=C\C=C/CC(C)CC(C)NS(C)(=O)=O
InChIInChI=1S/C13H25NO2S/c1-5-6-7-8-9-10-12(2)11-13(3)14-17(4,15)16/h6-9,12-14H,5,10-11H2,1-4H3/b7-6-,9-8-
InChIKeyGQWQCPYIJYDBKB-JPDBVBESSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo(6.1.0)non-4-ene-9-amine, methanesulfonate
CID 6435373
N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide
CID 23528931
N-[(1S,2R)-2-amino-1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propyl]methanesulfonamide
CID 59725061
6-Methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine
CID 68757194
N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide
CID 90147875
N-(3-ethenyl-4-methylhexyl)methanesulfonamide
CID 123381785
ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
CID 143225625
N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine
CID 155238535
9-Bicyclo[6.1.0]non-4-enylazanium;methanesulfonate
CID 54160
N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 61808806
N-(cyclohex-3-en-1-ylmethyl)propane-2-sulfonamide
CID 61808807
N-(cyclohex-3-en-1-ylmethyl)propane-1-sulfonamide
CID 61808808

Frequently Asked Questions

What is the IUPAC name of N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide?
The IUPAC name of N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide (CID 163592778) is N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide?
The canonical SMILES for N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide is CC/C=C\C=C/CC(C)CC(C)NS(C)(=O)=O.
What is the InChIKey of N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide?
The InChIKey is GQWQCPYIJYDBKB-JPDBVBESSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-5-6-7-8-9-10-12(2)11-13(3)14-17(4,15)16/h6-9,12-14H,5,10-11H2,1-4H3/b7-6-,9-8-.
What are the key properties of N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide?
N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide has a molecular weight of 259.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide is sourced from PubChem (CID 163592778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).