1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide

C8H18N2O2S — CID 115024927

IUPAC1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC1CNC1
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)13(11,12)7-8-5-9-6-8/h8-9H,3-7H2,1-2H3
InChIKeyCKNODVCUXMHOPA-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.12
Rot. Bonds5

About 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide

1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide (PubChem CID 115024927) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
PubChem CID115024927
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC1CNC1
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)13(11,12)7-8-5-9-6-8/h8-9H,3-7H2,1-2H3
InChIKeyCKNODVCUXMHOPA-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide?
The IUPAC name of 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide (CID 115024927) is 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide?
The canonical SMILES for 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide is CCN(CC)S(=O)(=O)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide?
The InChIKey is CKNODVCUXMHOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10(4-2)13(11,12)7-8-5-9-6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide?
1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N,N-diethylmethanesulfonamide is sourced from PubChem (CID 115024927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).