2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C17H25N3O4S — CID 20953903

IUPAC2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NCC1CCCO1
InChIInChI=1S/C17H25N3O4S/c21-17(18-12-16-8-4-11-24-16)14-20-10-5-9-19(25(20,22)23)13-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,18,21)
InChIKeyGVAOUKPLALPBOT-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.73
Rot. Bonds6

About 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 20953903) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID20953903
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NCC1CCCO1
InChIInChI=1S/C17H25N3O4S/c21-17(18-12-16-8-4-11-24-16)14-20-10-5-9-19(25(20,22)23)13-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,18,21)
InChIKeyGVAOUKPLALPBOT-UHFFFAOYSA-N
XLogP0.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
CID 75435937
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95098159
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 20953903) is 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NCC1CCCO1.
What is the InChIKey of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GVAOUKPLALPBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(18-12-16-8-4-11-24-16)14-20-10-5-9-19(25(20,22)23)13-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,18,21).
What are the key properties of 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 20953903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).