N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide

C10H19NO3S — CID 135295379

IUPACN-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide
SMILESCC/C(C)=C\C(NS(C)(=O)=O)=C(/C)OC
InChIInChI=1S/C10H19NO3S/c1-6-8(2)7-10(9(3)14-4)11-15(5,12)13/h7,11H,6H2,1-5H3/b8-7-,10-9-
InChIKeyHILOILHVTMBMTM-QRLRYFCNSA-N
MW233.33 g/mol
LogP1.77
Rot. Bonds5

About N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide

N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide (PubChem CID 135295379) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide
PubChem CID135295379
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide
SMILESCC/C(C)=C\C(NS(C)(=O)=O)=C(/C)OC
InChIInChI=1S/C10H19NO3S/c1-6-8(2)7-10(9(3)14-4)11-15(5,12)13/h7,11H,6H2,1-5H3/b8-7-,10-9-
InChIKeyHILOILHVTMBMTM-QRLRYFCNSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide?
The IUPAC name of N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide (CID 135295379) is N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide is CC/C(C)=C\C(NS(C)(=O)=O)=C(/C)OC.
What is the InChIKey of N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide?
The InChIKey is HILOILHVTMBMTM-QRLRYFCNSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-6-8(2)7-10(9(3)14-4)11-15(5,12)13/h7,11H,6H2,1-5H3/b8-7-,10-9-.
What are the key properties of N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide?
N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide has a molecular weight of 233.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-2-methoxy-5-methylhepta-2,4-dien-3-yl]methanesulfonamide is sourced from PubChem (CID 135295379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).