N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide

C14H19NO3S — CID 110857554

IUPACN-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19NO3S/c1-10-4-3-5-11(2)13(10)15-14(16)12-6-8-19(17,18)9-7-12/h3-5,12H,6-9H2,1-2H3,(H,15,16)
InChIKeyLKDCCBGWSCVCPN-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.07
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide

N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide (PubChem CID 110857554) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
PubChem CID110857554
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19NO3S/c1-10-4-3-5-11(2)13(10)15-14(16)12-6-8-19(17,18)9-7-12/h3-5,12H,6-9H2,1-2H3,(H,15,16)
InChIKeyLKDCCBGWSCVCPN-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
(3S)-N-(2,3-dimethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9069926
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-(2-chloro-4-methyl-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103696096
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide (CID 110857554) is N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide is Cc1cccc(C)c1NC(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide?
The InChIKey is LKDCCBGWSCVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-4-3-5-11(2)13(10)15-14(16)12-6-8-19(17,18)9-7-12/h3-5,12H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide?
N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 110857554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).