1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide

C8H18N2O2S — CID 18722912

IUPAC1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CN1CCC1
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)13(11,12)8-9-6-5-7-9/h3-8H2,1-2H3
InChIKeyQAQKNXWPQKHTHA-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.32
Rot. Bonds5

About 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide

1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide (PubChem CID 18722912) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide.

Molecular Properties

Compound Name1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide
PubChem CID18722912
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CN1CCC1
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)13(11,12)8-9-6-5-7-9/h3-8H2,1-2H3
InChIKeyQAQKNXWPQKHTHA-UHFFFAOYSA-N
XLogP0.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide?
The IUPAC name of 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide (CID 18722912) is 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide.
What is the SMILES notation for 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide?
The canonical SMILES for 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide is CCN(CC)S(=O)(=O)CN1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide?
The InChIKey is QAQKNXWPQKHTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10(4-2)13(11,12)8-9-6-5-7-9/h3-8H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide?
1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-N,N-diethylmethanesulfonamide is sourced from PubChem (CID 18722912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).