N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide

C16H24N2O3S — CID 110687706

IUPACN-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-14(2)18(12-15-8-4-3-5-9-15)16(19)13-17-10-6-7-11-22(17,20)21/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyJNUAIXFUIMBDTE-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.85
Rot. Bonds5

About N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide

N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide (PubChem CID 110687706) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
PubChem CID110687706
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN1CCCCS1(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-14(2)18(12-15-8-4-3-5-9-15)16(19)13-17-10-6-7-11-22(17,20)21/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyJNUAIXFUIMBDTE-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907822
N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 111106959
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904711
N-(3-aminopropyl)-N-benzyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide;hydrochloride
CID 120649716
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylacetamide
CID 109000032
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347312
N-benzyl-5-piperidin-1-ylsulfonyl-N-propan-2-ylpentanamide
CID 110299822
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-(1-cyclopropylethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110879557
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
N-benzyl-N-propan-2-ylacetamide
CID 23534449

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide (CID 110687706) is N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN1CCCCS1(=O)=O.
What is the InChIKey of N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide?
The InChIKey is JNUAIXFUIMBDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-14(2)18(12-15-8-4-3-5-9-15)16(19)13-17-10-6-7-11-22(17,20)21/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide has a molecular weight of 324.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110687706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).