N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide

C13H17NO3S — CID 7430109

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)13(15)14(2)12-7-8-18(16,17)9-12/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyKXIAIEVEICJQOZ-GFCCVEGCSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds2

About N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide (PubChem CID 7430109) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
PubChem CID7430109
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)13(15)14(2)12-7-8-18(16,17)9-12/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyKXIAIEVEICJQOZ-GFCCVEGCSA-N
XLogP1.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
4-acetamido-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 26009067
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propylbenzamide
CID 47719707
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-nitrobenzamide
CID 7064223
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(methoxymethyl)-N-methylbenzamide
CID 38832034
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044887
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxopyran-3-carboxamide
CID 110697472
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24679501
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide (CID 7430109) is N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide?
The InChIKey is KXIAIEVEICJQOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)13(15)14(2)12-7-8-18(16,17)9-12/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide has a molecular weight of 267.35 g/mol, XLogP of 1.25, 2 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,4-dimethylbenzamide is sourced from PubChem (CID 7430109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).