3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine

C7H16N2OS — CID 170709084

IUPAC3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
SMILESCS(=O)CCNC1(C)CNC1
InChIInChI=1S/C7H16N2OS/c1-7(5-8-6-7)9-3-4-11(2)10/h8-9H,3-6H2,1-2H3
InChIKeyGRUMXLNNMAQFOQ-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.68
Rot. Bonds4

About 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine

3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine (PubChem CID 170709084) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
PubChem CID170709084
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
SMILESCS(=O)CCNC1(C)CNC1
InChIInChI=1S/C7H16N2OS/c1-7(5-8-6-7)9-3-4-11(2)10/h8-9H,3-6H2,1-2H3
InChIKeyGRUMXLNNMAQFOQ-UHFFFAOYSA-N
XLogP-0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
CID 175979503
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 175979504
3-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
CID 65950441
N-(2-methyl-2-methylsulfonylpropyl)azetidin-3-amine
CID 79558561
N-(2-methylsulfinylethyl)azetidin-3-amine
CID 84651468
1-(2-Methylsulfinylethyl)azetidin-3-amine
CID 84651469
N-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine
CID 84655742
N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine
CID 84655744
1-[1-(2-Methanesulfinylethyl)azetidin-2-yl]methanamine
CID 84655746
N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine
CID 84655747
N-(azetidin-2-ylmethyl)-2-methylsulfinylethanamine
CID 84655749

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine (CID 170709084) is 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine is CS(=O)CCNC1(C)CNC1.
What is the InChIKey of 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine?
The InChIKey is GRUMXLNNMAQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(5-8-6-7)9-3-4-11(2)10/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine?
3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine has a molecular weight of 176.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfinylethyl)azetidin-3-amine is sourced from PubChem (CID 170709084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).