N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C11H13NO3S — CID 40634625

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C11H13NO3S/c13-11(9-4-2-1-3-5-9)12-10-6-7-16(14,15)8-10/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKeyMGNTYENVGMMMBG-SNVBAGLBSA-N
MW239.30 g/mol
LogP0.60
Rot. Bonds2

About N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 40634625) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID40634625
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C11H13NO3S/c13-11(9-4-2-1-3-5-9)12-10-6-7-16(14,15)8-10/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1
InChIKeyMGNTYENVGMMMBG-SNVBAGLBSA-N
XLogP0.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109055580
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
3-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76907236
4-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047168

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 40634625) is N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is MGNTYENVGMMMBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-11(9-4-2-1-3-5-9)12-10-6-7-16(14,15)8-10/h1-5,10H,6-8H2,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 239.30 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 40634625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).