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

C7H16N2O2S — CID 170709017

IUPAC2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCC1C(N)CN1CCS(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-6-7(8)5-9(6)3-4-12(2,10)11/h6-7H,3-5,8H2,1-2H3
InChIKeyPTRJMCFEPMAXLK-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.94
Rot. Bonds3

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

2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine (PubChem CID 170709017) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
PubChem CID170709017
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCC1C(N)CN1CCS(C)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-6-7(8)5-9(6)3-4-12(2,10)11/h6-7H,3-5,8H2,1-2H3
InChIKeyPTRJMCFEPMAXLK-UHFFFAOYSA-N
XLogP-0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Trifluoromethanesulfonylethyl)azetidin-2-yl]methanamine
CID 165855405
(2R)-2-N-methyl-4-methylsulfonylbutane-1,2-diamine
CID 57970076
(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine
CID 58419914
N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide
CID 59706201
1-(2-Methylsulfonylethyl)pyrrolidin-3-amine
CID 60919256
N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
(3S)-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
CID 67498526
2-amino-N-(1-propan-2-ylazetidin-3-yl)ethanesulfonamide
CID 68821891
1-ethyl-N-methyl-N-(2-methylsulfonylethyl)azetidin-3-amine
CID 89561903
1-methyl-N-(3-methylsulfonylpropyl)azetidin-3-amine
CID 90078049
N-(1-methylazetidin-3-yl)ethanesulfonamide
CID 90442615
N-(1-methylazetidin-3-yl)propane-2-sulfonamide
CID 90442623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine?
The IUPAC name of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine (CID 170709017) is 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine.
What is the SMILES notation for 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine?
The canonical SMILES for 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine is CC1C(N)CN1CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine?
The InChIKey is PTRJMCFEPMAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6-7(8)5-9(6)3-4-12(2,10)11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine?
2-methyl-1-(2-methylsulfonylethyl)azetidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -0.94, 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 is sourced from PubChem (CID 170709017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).