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

C12H22N2O3S — CID 119807938

IUPAC1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone
SMILESCC1(C)CN(C(=O)CC2CCCN2)CCS1(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-12(2)9-14(6-7-18(12,16)17)11(15)8-10-4-3-5-13-10/h10,13H,3-9H2,1-2H3
InChIKeyTWQUOJOVCLEPKZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds2

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

1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 119807938) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone
PubChem CID119807938
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone
SMILESCC1(C)CN(C(=O)CC2CCCN2)CCS1(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-12(2)9-14(6-7-18(12,16)17)11(15)8-10-4-3-5-13-10/h10,13H,3-9H2,1-2H3
InChIKeyTWQUOJOVCLEPKZ-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(2,2-dimethylmorpholin-4-yl)-2-piperidin-2-ylethanone
CID 43592977
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 119337414
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-(3-methylpyrrolidin-1-yl)-2-piperidin-2-ylethanone
CID 61226626
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-pyrrolidin-3-ylmethanone
CID 119807946
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791797

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone (CID 119807938) is 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone is CC1(C)CN(C(=O)CC2CCCN2)CCS1(=O)=O.
What is the InChIKey of 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is TWQUOJOVCLEPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(2)9-14(6-7-18(12,16)17)11(15)8-10-4-3-5-13-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone?
1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 274.39 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119807938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).