3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride

C7H18Cl2N2O2S — CID 175979503

IUPAC3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
SMILESCC1(NCCS(C)(=O)=O)CNC1.Cl.Cl
InChIInChI=1S/C7H16N2O2S.2ClH/c1-7(5-8-6-7)9-3-4-12(2,10)11;;/h8-9H,3-6H2,1-2H3;2*1H
InChIKeyVUSMUGAQTZUGGX-UHFFFAOYSA-N
MW265.21 g/mol
LogP-0.17
Rot. Bonds4

About 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride

3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride (PubChem CID 175979503) has the molecular formula C7H18Cl2N2O2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
PubChem CID175979503
Molecular FormulaC7H18Cl2N2O2S
Molecular Weight265.21 g/mol
Exact Mass264.05
IUPAC Name3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
SMILESCC1(NCCS(C)(=O)=O)CNC1.Cl.Cl
InChIInChI=1S/C7H16N2O2S.2ClH/c1-7(5-8-6-7)9-3-4-12(2,10)11;;/h8-9H,3-6H2,1-2H3;2*1H
InChIKeyVUSMUGAQTZUGGX-UHFFFAOYSA-N
XLogP-0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
The IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride (CID 175979503) is 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride is CC1(NCCS(C)(=O)=O)CNC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
The InChIKey is VUSMUGAQTZUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.2ClH/c1-7(5-8-6-7)9-3-4-12(2,10)11;;/h8-9H,3-6H2,1-2H3;2*1H.
What are the key properties of 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride has a molecular weight of 265.21 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 175979503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).