N-phenylmethoxy-N-prop-2-enylmethanesulfonamide

C11H15NO3S — CID 88828954

IUPACN-phenylmethoxy-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-3-9-12(16(2,13)14)15-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeyBYNMCCBILIZINP-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.57
Rot. Bonds6

About N-phenylmethoxy-N-prop-2-enylmethanesulfonamide

N-phenylmethoxy-N-prop-2-enylmethanesulfonamide (PubChem CID 88828954) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-phenylmethoxy-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-phenylmethoxy-N-prop-2-enylmethanesulfonamide
PubChem CID88828954
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-phenylmethoxy-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-3-9-12(16(2,13)14)15-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeyBYNMCCBILIZINP-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-phenylmethoxy-N-prop-2-enylmethanesulfonamide (CID 88828954) is N-phenylmethoxy-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-phenylmethoxy-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-phenylmethoxy-N-prop-2-enylmethanesulfonamide is C=CCN(OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-phenylmethoxy-N-prop-2-enylmethanesulfonamide?
The InChIKey is BYNMCCBILIZINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-9-12(16(2,13)14)15-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3.
What are the key properties of N-phenylmethoxy-N-prop-2-enylmethanesulfonamide?
N-phenylmethoxy-N-prop-2-enylmethanesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 88828954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).