N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide

C12H18N2O2S — CID 62341302

IUPACN-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC/C=C/c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-8,13-14H,9-11H2,1H3/b8-5+
InChIKeyWGWJICOPIDFOAG-VMPITWQZSA-N
MW254.36 g/mol
LogP0.84
Rot. Bonds7

About N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide

N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide (PubChem CID 62341302) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
PubChem CID62341302
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC NameN-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC/C=C/c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-8,13-14H,9-11H2,1H3/b8-5+
InChIKeyWGWJICOPIDFOAG-VMPITWQZSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
CID 103638583
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 112689881
N'-(3-phenylprop-2-enyl)propane-1,3-diamine
CID 76940305
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
2-[[2-(3-phenylprop-2-enylamino)ethylamino]methyl]phenol
CID 70598852
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide (CID 62341302) is N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC/C=C/c1ccccc1.
What is the InChIKey of N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide?
The InChIKey is WGWJICOPIDFOAG-VMPITWQZSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-8,13-14H,9-11H2,1H3/b8-5+.
What are the key properties of N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide?
N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 62341302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).