N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide

C7H16N2O2S — CID 165486826

IUPACN-[1-(azetidin-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C1CNC1
InChIInChI=1S/C7H16N2O2S/c1-3-12(10,11)9-6(2)7-4-8-5-7/h6-9H,3-5H2,1-2H3
InChIKeyYZMGEXHKIQBCFV-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.47
Rot. Bonds4

About N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide

N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide (PubChem CID 165486826) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)ethyl]ethanesulfonamide
PubChem CID165486826
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-[1-(azetidin-3-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C1CNC1
InChIInChI=1S/C7H16N2O2S/c1-3-12(10,11)9-6(2)7-4-8-5-7/h6-9H,3-5H2,1-2H3
InChIKeyYZMGEXHKIQBCFV-UHFFFAOYSA-N
XLogP-0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide (CID 165486826) is N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)C1CNC1.
What is the InChIKey of N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide?
The InChIKey is YZMGEXHKIQBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-12(10,11)9-6(2)7-4-8-5-7/h6-9H,3-5H2,1-2H3.
What are the key properties of N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide?
N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 165486826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).