N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide

C14H22N2O5S2 — CID 110303603

IUPACN-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(C)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H22N2O5S2/c1-12-5-6-13(15-22(17,18)10-8-21-2)11-14(12)16-7-3-4-9-23(16,19)20/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyVHQKTEXEGPVYBH-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.31
Rot. Bonds6

About N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide

N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide (PubChem CID 110303603) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
PubChem CID110303603
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(C)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C14H22N2O5S2/c1-12-5-6-13(15-22(17,18)10-8-21-2)11-14(12)16-7-3-4-9-23(16,19)20/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyVHQKTEXEGPVYBH-UHFFFAOYSA-N
XLogP1.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methoxyethanesulfonamide
CID 110303684
2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636371
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-4-fluorobenzenesulfonamide
CID 112505593
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-sulfonamide
CID 112505840
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112505838
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
CID 119798756

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide (CID 110303603) is N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(C)c(N2CCCCS2(=O)=O)c1.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide?
The InChIKey is VHQKTEXEGPVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-12-5-6-13(15-22(17,18)10-8-21-2)11-14(12)16-7-3-4-9-23(16,19)20/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide?
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 110303603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).