3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone

C11H18N2O3S — CID 166258794

IUPAC3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESC[C@H]1CN(C(=O)N2CC3CC3C2)CCS1(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-8-5-12(2-3-17(8,15)16)11(14)13-6-9-4-10(9)7-13/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyQBZOFNBUODBOAN-IDKOKCKLSA-N
MW258.34 g/mol
LogP0.18
Rot. Bonds

About 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone

3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone (PubChem CID 166258794) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
PubChem CID166258794
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESC[C@H]1CN(C(=O)N2CC3CC3C2)CCS1(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-8-5-12(2-3-17(8,15)16)11(14)13-6-9-4-10(9)7-13/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyQBZOFNBUODBOAN-IDKOKCKLSA-N
XLogP0.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]prop-2-en-1-one
CID 136588916
(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 99590563
1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 136534354
(2S)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 138055627
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945
3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoic acid;hydrochloride
CID 131089409
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 122054919
3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981793
1-[4-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl]-4-phenylpiperidin-1-yl]prop-2-en-1-one
CID 166407399
3-(2,4-difluorophenyl)-1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 166403277

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone (CID 166258794) is 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone is C[C@H]1CN(C(=O)N2CC3CC3C2)CCS1(=O)=O.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is QBZOFNBUODBOAN-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-5-12(2-3-17(8,15)16)11(14)13-6-9-4-10(9)7-13/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 258.34 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 166258794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).