N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide

C7H12N2O3S — CID 173483740

IUPACN-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide
SMILESC=CC=N/C(=C/NS(C)(=O)=O)OC
InChIInChI=1S/C7H12N2O3S/c1-4-5-8-7(12-2)6-9-13(3,10)11/h4-6,9H,1H2,2-3H3/b7-6-,8-5?
InChIKeySWXITXVLBKIUAG-NOOPGXFHSA-N
MW204.25 g/mol
LogP0.24
Rot. Bonds5

About N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide

N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide (PubChem CID 173483740) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide
PubChem CID173483740
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC NameN-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide
SMILESC=CC=N/C(=C/NS(C)(=O)=O)OC
InChIInChI=1S/C7H12N2O3S/c1-4-5-8-7(12-2)6-9-13(3,10)11/h4-6,9H,1H2,2-3H3/b7-6-,8-5?
InChIKeySWXITXVLBKIUAG-NOOPGXFHSA-N
XLogP0.24
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide?
The IUPAC name of N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide (CID 173483740) is N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide.
What is the SMILES notation for N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide?
The canonical SMILES for N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide is C=CC=N/C(=C/NS(C)(=O)=O)OC.
What is the InChIKey of N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide?
The InChIKey is SWXITXVLBKIUAG-NOOPGXFHSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-4-5-8-7(12-2)6-9-13(3,10)11/h4-6,9H,1H2,2-3H3/b7-6-,8-5?.
What are the key properties of N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide?
N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methoxy-2-(prop-2-enylideneamino)ethenyl]methanesulfonamide is sourced from PubChem (CID 173483740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).