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

C11H24N2O2S — CID 59603413

IUPACN-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCC(C)CN1CC(N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2)7-13-8-11(9-13)12(3)5-6-16(4,14)15/h10-11H,5-9H2,1-4H3
InChIKeySOWOPJAUAZSEQN-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.30
Rot. Bonds6

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

N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine (PubChem CID 59603413) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine
PubChem CID59603413
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine
SMILESCC(C)CN1CC(N(C)CCS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-10(2)7-13-8-11(9-13)12(3)5-6-16(4,14)15/h10-11H,5-9H2,1-4H3
InChIKeySOWOPJAUAZSEQN-UHFFFAOYSA-N
XLogP0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine (CID 59603413) is N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine is CC(C)CN1CC(N(C)CCS(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine?
The InChIKey is SOWOPJAUAZSEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)7-13-8-11(9-13)12(3)5-6-16(4,14)15/h10-11H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine?
N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-(2-methylsulfonylethyl)azetidin-3-amine is sourced from PubChem (CID 59603413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).