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

C13H20N2O2S — CID 103638583

IUPACN-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC/C=C/c1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)15-12-6-11-14-10-5-9-13-7-3-2-4-8-13/h2-5,7-9,14-15H,6,10-12H2,1H3/b9-5+
InChIKeyIZTBREOINKYWCR-WEVVVXLNSA-N
MW268.38 g/mol
LogP1.23
Rot. Bonds8

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

N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide (PubChem CID 103638583) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
PubChem CID103638583
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC/C=C/c1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)15-12-6-11-14-10-5-9-13-7-3-2-4-8-13/h2-5,7-9,14-15H,6,10-12H2,1H3/b9-5+
InChIKeyIZTBREOINKYWCR-WEVVVXLNSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.23
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-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
CID 62341302
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine
CID 175973371
N',N'-diethyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 17214982
N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 76950960
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
N',N'-dibutyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine;dihydrochloride
CID 17214509
(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
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide (CID 103638583) is N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNC/C=C/c1ccccc1.
What is the InChIKey of N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide?
The InChIKey is IZTBREOINKYWCR-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)15-12-6-11-14-10-5-9-13-7-3-2-4-8-13/h2-5,7-9,14-15H,6,10-12H2,1H3/b9-5+.
What are the key properties of N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide?
N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 103638583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).