2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C16H30N4O4S — CID 110046395

IUPAC2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCOC1)N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H30N4O4S/c1-16(2)12-20(6-8-25(16,22)23)15(18-10-14(21)19(3)4)17-9-13-5-7-24-11-13/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyDEFVSJQTLHFCFN-UHFFFAOYSA-N
MW374.51 g/mol
LogP-0.43
Rot. Bonds4

About 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110046395) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110046395
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC Name2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCOC1)N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C16H30N4O4S/c1-16(2)12-20(6-8-25(16,22)23)15(18-10-14(21)19(3)4)17-9-13-5-7-24-11-13/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyDEFVSJQTLHFCFN-UHFFFAOYSA-N
XLogP-0.43
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110050122
N,N-dimethyl-2-[[[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110042027
2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046361
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036538
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110033408
2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030
N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclopentyl]methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110045103
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906924
N,N-dimethyl-2-[[[(2-methyl-2-piperidin-1-ylpropyl)amino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111907102
2-[[2-azaspiro[4.5]decan-2-yl-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041968
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111907282
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111654805

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110046395) is 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCC1CCOC1)N1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DEFVSJQTLHFCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c1-16(2)12-20(6-8-25(16,22)23)15(18-10-14(21)19(3)4)17-9-13-5-7-24-11-13/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 374.51 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110046395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).