2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride

C7H18Cl2N2O2S — CID 176890270

IUPAC2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
SMILESCC1C(N)CN1CCS(C)(=O)=O.Cl.Cl
InChIInChI=1S/C7H16N2O2S.2ClH/c1-6-7(8)5-9(6)3-4-12(2,10)11;;/h6-7H,3-5,8H2,1-2H3;2*1H
InChIKeyBYAATQWYBOIBQJ-UHFFFAOYSA-N
MW265.21 g/mol
LogP-0.09
Rot. Bonds3

About 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride

2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride (PubChem CID 176890270) has the molecular formula C7H18Cl2N2O2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
PubChem CID176890270
Molecular FormulaC7H18Cl2N2O2S
Molecular Weight265.21 g/mol
Exact Mass264.05
IUPAC Name2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
SMILESCC1C(N)CN1CCS(C)(=O)=O.Cl.Cl
InChIInChI=1S/C7H16N2O2S.2ClH/c1-6-7(8)5-9(6)3-4-12(2,10)11;;/h6-7H,3-5,8H2,1-2H3;2*1H
InChIKeyBYAATQWYBOIBQJ-UHFFFAOYSA-N
XLogP-0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
2-amino-N-(1-propan-2-ylazetidin-3-yl)ethanesulfonamide
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4-(Azetidin-3-yl)thiomorpholine 1,1-dioxide dihydrochloride
CID 72207371
1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
CID 90078049
N-(1-methylazetidin-3-yl)propane-2-sulfonamide
CID 90442623
N-(1-propan-2-ylazetidin-3-yl)propane-2-sulfonamide
CID 130272155
N-(1-propan-2-ylazetidin-3-yl)ethanesulfonamide
CID 130272405
1-(Azetidin-3-yl)pyrrolidine-3-sulfonamide dihydrochloride
CID 153526456
1-N-(1,1-dioxothietan-3-yl)propane-1,2-diamine
CID 156339489
2-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
CID 170709017
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
CID 175979503
N'-butan-2-yl-N'-butyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62558653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
The IUPAC name of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride (CID 176890270) is 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
The canonical SMILES for 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride is CC1C(N)CN1CCS(C)(=O)=O.Cl.Cl.
What is the InChIKey of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
The InChIKey is BYAATQWYBOIBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.2ClH/c1-6-7(8)5-9(6)3-4-12(2,10)11;;/h6-7H,3-5,8H2,1-2H3;2*1H.
What are the key properties of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride?
2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride has a molecular weight of 265.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 176890270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).