4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide

C10H19NO2S — CID 123305660

IUPAC4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CC(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19NO2S/c1-9-6-10(7-9)8-11-2-4-14(12,13)5-3-11/h9-10H,2-8H2,1H3
InChIKeyLCLQMXQJGMCYIO-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.76
Rot. Bonds2

About 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 123305660) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID123305660
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CC(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19NO2S/c1-9-6-10(7-9)8-11-2-4-14(12,13)5-3-11/h9-10H,2-8H2,1H3
InChIKeyLCLQMXQJGMCYIO-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
CID 3832716
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
1-Ethylsulfonyl-3-methylpiperidine
CID 303056
3-Methyl-1-(propane-1-sulfonyl)piperidine
CID 303131
4-Hexyl-1,4-thiazinane 1,1-dioxide
CID 318464
1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
1-(Butane-1-sulfonyl)-3-methylpiperidine
CID 303122
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 71861030
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
Piperidine, 1-[2-(ethylsulfonyl)ethyl]-
CID 3104333

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 123305660) is 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide is CC1CC(CN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is LCLQMXQJGMCYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9-6-10(7-9)8-11-2-4-14(12,13)5-3-11/h9-10H,2-8H2,1H3.
What are the key properties of 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclobutyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 123305660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).