N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine

C7H16N2OS — CID 84655747

IUPACN-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine
SMILESCNC1CN(CCS(C)=O)C1
InChIInChI=1S/C7H16N2OS/c1-8-7-5-9(6-7)3-4-11(2)10/h7-8H,3-6H2,1-2H3
InChIKeyNFGHHGYWZVTMBG-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.73
Rot. Bonds4

About N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine

N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine (PubChem CID 84655747) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine
PubChem CID84655747
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine
SMILESCNC1CN(CCS(C)=O)C1
InChIInChI=1S/C7H16N2OS/c1-8-7-5-9(6-7)3-4-11(2)10/h7-8H,3-6H2,1-2H3
InChIKeyNFGHHGYWZVTMBG-UHFFFAOYSA-N
XLogP-0.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-3-yl)-1,4-thiazinane 1-oxide
CID 62783701
N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
CID 90078049
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-methylsulfinylethyl)azetidin-3-amine
CID 170709084
3-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 175979504
2-Methyl-1-(2-methylsulfonylethyl)azetidin-3-amine;dihydrochloride
CID 176890270
2-N,2-N-dimethyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 61519062
1-N,1-N-diethyl-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 61954978
N'-butan-2-yl-N'-ethyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560173
N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 62560180

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine (CID 84655747) is N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine is CNC1CN(CCS(C)=O)C1.
What is the InChIKey of N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine?
The InChIKey is NFGHHGYWZVTMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-8-7-5-9(6-7)3-4-11(2)10/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine?
N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine has a molecular weight of 176.28 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfinylethyl)azetidin-3-amine is sourced from PubChem (CID 84655747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).