N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide

C14H17NO3S — CID 7476902

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H17NO3S/c1-2-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m1/s1
InChIKeyHEQPSZMLKOQXJZ-CYBMUJFWSA-N
MW279.36 g/mol
LogP1.50
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide (PubChem CID 7476902) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
PubChem CID7476902
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H17NO3S/c1-2-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m1/s1
InChIKeyHEQPSZMLKOQXJZ-CYBMUJFWSA-N
XLogP1.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.50
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

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-enyl-1H-indole-2-carboxamide
CID 94820885
N-(1-hydroxypiperidin-4-yl)-N-prop-2-enylbenzamide
CID 143833867
3-amino-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-prop-2-enylpropanamide
CID 119950451
4-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoro-N-prop-2-enylbenzamide
CID 95143047
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 7123214
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide
CID 94668550
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-[(3S)-1,1-dioxothiolan-3-yl]-1-oxo-N-prop-2-enyl-2H-isoquinoline-3-carboxamide
CID 95580806
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 40851276
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 41076102

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide (CID 7476902) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide?
The InChIKey is HEQPSZMLKOQXJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-9-15(13-8-10-19(17,18)11-13)14(16)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 7476902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).