2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide

C10H19NO2S — CID 79862951

IUPAC2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide
SMILESCC1CNC2C(CCC2(C)C)S1(=O)=O
InChIInChI=1S/C10H19NO2S/c1-7-6-11-9-8(14(7,12)13)4-5-10(9,2)3/h7-9,11H,4-6H2,1-3H3
InChIKeySGXARFHRRFHHRM-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.95
Rot. Bonds

About 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide

2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide (PubChem CID 79862951) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide.

Molecular Properties

Compound Name2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide
PubChem CID79862951
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide
SMILESCC1CNC2C(CCC2(C)C)S1(=O)=O
InChIInChI=1S/C10H19NO2S/c1-7-6-11-9-8(14(7,12)13)4-5-10(9,2)3/h7-9,11H,4-6H2,1-3H3
InChIKeySGXARFHRRFHHRM-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide with MolForge

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Related Compounds

7-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1,1-dioxide
CID 66243296
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1-[(3S)-6,6-dimethyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
CID 70337370
N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 130532869
2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde
CID 10924994
2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide;hydrochloride
CID 119031292
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
(2R,5S)-5-methyl-2-(1-methylcyclopropyl)piperidine
CID 169115095
2,3,3-trimethylcyclopentane-1-carbaldehyde
CID 91750029
6,6-dimethyl-3,4,5,5a,7,8,9,9a-octahydro-2H-benzo[b][1,4]thiazepine 1-oxide
CID 79847685
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
1,1,2-trimethylcycloundecane
CID 544748

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide?
The IUPAC name of 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide (CID 79862951) is 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide.
What is the SMILES notation for 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide?
The canonical SMILES for 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide is CC1CNC2C(CCC2(C)C)S1(=O)=O.
What is the InChIKey of 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide?
The InChIKey is SGXARFHRRFHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7-6-11-9-8(14(7,12)13)4-5-10(9,2)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide?
2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]thiazine 1,1-dioxide is sourced from PubChem (CID 79862951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).