N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide

C15H24N2O2S — CID 119108394

IUPACN-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNC/C(C)=C/c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-3-20(18,19)17-11-7-10-16-13-14(2)12-15-8-5-4-6-9-15/h4-6,8-9,12,16-17H,3,7,10-11,13H2,1-2H3/b14-12+
InChIKeyQERIDHQMSYKDAL-WYMLVPIESA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds9

About N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide

N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide (PubChem CID 119108394) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
PubChem CID119108394
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNC/C(C)=C/c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-3-20(18,19)17-11-7-10-16-13-14(2)12-15-8-5-4-6-9-15/h4-6,8-9,12,16-17H,3,7,10-11,13H2,1-2H3/b14-12+
InChIKeyQERIDHQMSYKDAL-WYMLVPIESA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.01
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

3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
N'-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108037
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(E)-2-(butylsulfamoyl)-3-phenylprop-2-enoic acid
CID 70229641

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide (CID 119108394) is N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNC/C(C)=C/c1ccccc1.
What is the InChIKey of N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide?
The InChIKey is QERIDHQMSYKDAL-WYMLVPIESA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-20(18,19)17-11-7-10-16-13-14(2)12-15-8-5-4-6-9-15/h4-6,8-9,12,16-17H,3,7,10-11,13H2,1-2H3/b14-12+.
What are the key properties of N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide?
N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide is sourced from PubChem (CID 119108394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).