3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide

C13H18N2O3S — CID 51240308

IUPAC3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H18N2O3S/c1-15(2)12-5-3-4-10(8-12)13(16)14-11-6-7-19(17,18)9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyNDACBVZLFCEVCR-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.67
Rot. Bonds3

About 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide

3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 51240308) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID51240308
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H18N2O3S/c1-15(2)12-5-3-4-10(8-12)13(16)14-11-6-7-19(17,18)9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyNDACBVZLFCEVCR-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110355698
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109055580
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109063989
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide (CID 51240308) is 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide is CN(C)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is NDACBVZLFCEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-15(2)12-5-3-4-10(8-12)13(16)14-11-6-7-19(17,18)9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 282.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 51240308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).