(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone

C11H20N2O3S — CID 119807946

IUPAC(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCNC2)CCS1(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-11(2)8-13(5-6-17(11,15)16)10(14)9-3-4-12-7-9/h9,12H,3-8H2,1-2H3
InChIKeyFDETXRLNWBJAAU-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.37
Rot. Bonds1

About (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone

(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone (PubChem CID 119807946) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
PubChem CID119807946
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)C2CCNC2)CCS1(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-11(2)8-13(5-6-17(11,15)16)10(14)9-3-4-12-7-9/h9,12H,3-8H2,1-2H3
InChIKeyFDETXRLNWBJAAU-UHFFFAOYSA-N
XLogP-0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119807906
(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
CID 115740257
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129495751
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 97226647
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone
CID 119807938
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296
(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 136514257
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone (CID 119807946) is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone is CC1(C)CN(C(=O)C2CCNC2)CCS1(=O)=O.
What is the InChIKey of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is FDETXRLNWBJAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(2)8-13(5-6-17(11,15)16)10(14)9-3-4-12-7-9/h9,12H,3-8H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone?
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 260.36 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119807946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).