N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide

C11H15NO2S — CID 142953388

IUPACN-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-3-9-15(13,14)12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-/m1/s1
InChIKeyAOFGIZGRVAHWRR-SNVBAGLBSA-N
MW225.31 g/mol
LogP1.85
Rot. Bonds5

About N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide

N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide (PubChem CID 142953388) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
PubChem CID142953388
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-3-9-15(13,14)12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-/m1/s1
InChIKeyAOFGIZGRVAHWRR-SNVBAGLBSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine
CID 10882062
(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide
CID 97249147
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide (CID 142953388) is N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide?
The InChIKey is AOFGIZGRVAHWRR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-9-15(13,14)12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide?
N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 142953388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).