3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride

C6H14ClNO2S — CID 139026879

IUPAC3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride
SMILESCC1(CS(C)(=O)=O)CNC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-6(3-7-4-6)5-10(2,8)9;/h7H,3-5H2,1-2H3;1H
InChIKeyKMRPXKPXLBOOSO-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.06
Rot. Bonds2

About 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride

3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride (PubChem CID 139026879) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride
PubChem CID139026879
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride
SMILESCC1(CS(C)(=O)=O)CNC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-6(3-7-4-6)5-10(2,8)9;/h7H,3-5H2,1-2H3;1H
InChIKeyKMRPXKPXLBOOSO-UHFFFAOYSA-N
XLogP0.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]methanone
CID 177313224
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-methylsulfonylethanamine;hydrochloride
CID 120898547
1-(methylsulfonylmethyl)bicyclo[1.1.1]pentane
CID 174156092
3-methyl-3-[2-[methyl(sulfamoyl)amino]propyl]azetidine
CID 163275194
1-ethyl-1-(methylsulfonylmethyl)cyclopropane
CID 123657531
3-methyl-3-[(2-methylphosphiran-2-yl)methyl]azetidine
CID 131968280
methyl 3-(methylsulfonylmethyl)pyrrolidine-3-carboxylate
CID 167723601
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
CID 120901428
ethane;2,2,6,6-tetramethylpiperazine
CID 178166936
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
3-butyl-3-methylazetidine;ethane
CID 145389820
(5R)-5-methyl-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59710540

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride (CID 139026879) is 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride is CC1(CS(C)(=O)=O)CNC1.Cl.
What is the InChIKey of 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride?
The InChIKey is KMRPXKPXLBOOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-6(3-7-4-6)5-10(2,8)9;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride?
3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylsulfonylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 139026879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).