(2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide

C13H19NO3S — CID 99837562

IUPAC(2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)C[C@H](C)OC
InChIInChI=1S/C13H19NO3S/c1-4-10-14(13-8-6-5-7-9-13)18(15,16)11-12(2)17-3/h4-9,12H,1,10-11H2,2-3H3/t12-/m0/s1
InChIKeyPMECOKGDPBJMPL-LBPRGKRZSA-N
MW269.37 g/mol
LogP2.04
Rot. Bonds7

About (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide

(2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 99837562) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide
PubChem CID99837562
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)C[C@H](C)OC
InChIInChI=1S/C13H19NO3S/c1-4-10-14(13-8-6-5-7-9-13)18(15,16)11-12(2)17-3/h4-9,12H,1,10-11H2,2-3H3/t12-/m0/s1
InChIKeyPMECOKGDPBJMPL-LBPRGKRZSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398
N-methoxy-N-phenylprop-2-ene-1-sulfonamide
CID 87802468
N,N-diphenylprop-2-ene-1-sulfonamide
CID 175235096
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
2-[2-methoxypropylsulfonyl(methyl)amino]benzoic acid
CID 131962540
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585592
[(4S)-4-[bis(prop-2-enyl)amino]-4-phenylbutan-2-yl] methanesulfonate
CID 135016688
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595869
N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide?
The IUPAC name of (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide (CID 99837562) is (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide is C=CCN(c1ccccc1)S(=O)(=O)C[C@H](C)OC.
What is the InChIKey of (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is PMECOKGDPBJMPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-10-14(13-8-6-5-7-9-13)18(15,16)11-12(2)17-3/h4-9,12H,1,10-11H2,2-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide?
(2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-phenyl-N-prop-2-enylpropane-1-sulfonamide is sourced from PubChem (CID 99837562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).