N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide

C13H18N2O5S2 — CID 95276198

IUPACN-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H18N2O5S2/c1-11(13(16)15-7-9-21(17,18)10-8-15)14-22(19,20)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-/m1/s1
InChIKeyDTNCCNSOXLCUID-LLVKDONJSA-N
MW346.43 g/mol
LogP-0.39
Rot. Bonds4

About N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide

N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 95276198) has the molecular formula C13H18N2O5S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID95276198
Molecular FormulaC13H18N2O5S2
Molecular Weight346.43 g/mol
Exact Mass346.07
IUPAC NameN-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H18N2O5S2/c1-11(13(16)15-7-9-21(17,18)10-8-15)14-22(19,20)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-/m1/s1
InChIKeyDTNCCNSOXLCUID-LLVKDONJSA-N
XLogP-0.39
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
4-bromo-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 56520176
N-[(2S)-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 55935432
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)propanoate
CID 55935697
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 155168701
N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55935351
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
2-[4-[(2S)-2-(benzenesulfonamido)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55943067
4-chloro-N-[(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55942738

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 95276198) is N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is DTNCCNSOXLCUID-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O5S2/c1-11(13(16)15-7-9-21(17,18)10-8-15)14-22(19,20)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide?
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 346.43 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 95276198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).