N-methyl-N-pent-4-enylmethanesulfonamide

C7H15NO2S — CID 115640453

IUPACN-methyl-N-pent-4-enylmethanesulfonamide
SMILESC=CCCCN(C)S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-5-6-7-8(2)11(3,9)10/h4H,1,5-7H2,2-3H3
InChIKeyGTOSKDLFWLUILE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.84
Rot. Bonds5

About N-methyl-N-pent-4-enylmethanesulfonamide

N-methyl-N-pent-4-enylmethanesulfonamide (PubChem CID 115640453) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-methyl-N-pent-4-enylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-pent-4-enylmethanesulfonamide
PubChem CID115640453
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-methyl-N-pent-4-enylmethanesulfonamide
SMILESC=CCCCN(C)S(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-5-6-7-8(2)11(3,9)10/h4H,1,5-7H2,2-3H3
InChIKeyGTOSKDLFWLUILE-UHFFFAOYSA-N
XLogP0.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pent-4-enylmethanesulfonamide?
The IUPAC name of N-methyl-N-pent-4-enylmethanesulfonamide (CID 115640453) is N-methyl-N-pent-4-enylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-pent-4-enylmethanesulfonamide?
The canonical SMILES for N-methyl-N-pent-4-enylmethanesulfonamide is C=CCCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-pent-4-enylmethanesulfonamide?
The InChIKey is GTOSKDLFWLUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-5-6-7-8(2)11(3,9)10/h4H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-N-pent-4-enylmethanesulfonamide?
N-methyl-N-pent-4-enylmethanesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-4-enylmethanesulfonamide is sourced from PubChem (CID 115640453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).