N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine

C11H15NO4S2 — CID 24693954

IUPACN-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO4S2/c1-17(13,14)11-4-2-9(3-5-11)12-10-6-7-18(15,16)8-10/h2-5,10,12H,6-8H2,1H3
InChIKeyPKWASUBLMCOVRL-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.69
Rot. Bonds3

About N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine

N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine (PubChem CID 24693954) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
PubChem CID24693954
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC NameN-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
SMILESCS(=O)(=O)c1ccc(NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO4S2/c1-17(13,14)11-4-2-9(3-5-11)12-10-6-7-18(15,16)8-10/h2-5,10,12H,6-8H2,1H3
InChIKeyPKWASUBLMCOVRL-UHFFFAOYSA-N
XLogP0.69
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxothiolan-3-amine
CID 4059509
N-(4-chlorocyclohexyl)-4-methylsulfonylaniline
CID 65027643
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113028667
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
CID 55158540
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
4-N-(1,1-dioxothiolan-3-yl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 63162631
4-N-(1,1-dioxothiolan-3-yl)-2-methoxybenzene-1,4-diamine
CID 55232141
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothiolan-3-amine
CID 60708678

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine (CID 24693954) is N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine is CS(=O)(=O)c1ccc(NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine?
The InChIKey is PKWASUBLMCOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-17(13,14)11-4-2-9(3-5-11)12-10-6-7-18(15,16)8-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine?
N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine has a molecular weight of 289.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 24693954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).