N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine

C11H22N2O3S — CID 110197188

IUPACN-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine
SMILESCCN(C1CCOCC1)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-13(10-4-6-16-7-5-10)11-8-12(9-11)17(2,14)15/h10-11H,3-9H2,1-2H3
InChIKeyAXNZADMQEBJRRW-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.13
Rot. Bonds4

About N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine

N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine (PubChem CID 110197188) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine
PubChem CID110197188
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine
SMILESCCN(C1CCOCC1)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-13(10-4-6-16-7-5-10)11-8-12(9-11)17(2,14)15/h10-11H,3-9H2,1-2H3
InChIKeyAXNZADMQEBJRRW-UHFFFAOYSA-N
XLogP0.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine?
The IUPAC name of N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine (CID 110197188) is N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine?
The canonical SMILES for N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine is CCN(C1CCOCC1)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine?
The InChIKey is AXNZADMQEBJRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-13(10-4-6-16-7-5-10)11-8-12(9-11)17(2,14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine?
N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine has a molecular weight of 262.37 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonyl-N-(oxan-4-yl)azetidin-3-amine is sourced from PubChem (CID 110197188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).