2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide

C10H22N2OS — CID 71288320

IUPAC2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1CN(C)C1
InChIInChI=1S/C10H22N2OS/c1-8(9-6-12(5)7-9)11-14(13)10(2,3)4/h8-9,11H,6-7H2,1-5H3
InChIKeySJVFVEDFPOPENT-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.99
Rot. Bonds3

About 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide (PubChem CID 71288320) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide
PubChem CID71288320
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1CN(C)C1
InChIInChI=1S/C10H22N2OS/c1-8(9-6-12(5)7-9)11-14(13)10(2,3)4/h8-9,11H,6-7H2,1-5H3
InChIKeySJVFVEDFPOPENT-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide (CID 71288320) is 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C1CN(C)C1.
What is the InChIKey of 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
The InChIKey is SJVFVEDFPOPENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(9-6-12(5)7-9)11-14(13)10(2,3)4/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide has a molecular weight of 218.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylazetidin-3-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 71288320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).