N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide

C10H22N2O2S — CID 130272394

IUPACN-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide
SMILESCCC(C)(C)N1CC(NS(=O)(=O)CC)C1
InChIInChI=1S/C10H22N2O2S/c1-5-10(3,4)12-7-9(8-12)11-15(13,14)6-2/h9,11H,5-8H2,1-4H3
InChIKeyJCSDWMSSDRIZTH-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds5

About N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide

N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide (PubChem CID 130272394) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide
PubChem CID130272394
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide
SMILESCCC(C)(C)N1CC(NS(=O)(=O)CC)C1
InChIInChI=1S/C10H22N2O2S/c1-5-10(3,4)12-7-9(8-12)11-15(13,14)6-2/h9,11H,5-8H2,1-4H3
InChIKeyJCSDWMSSDRIZTH-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide (CID 130272394) is N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide is CCC(C)(C)N1CC(NS(=O)(=O)CC)C1.
What is the InChIKey of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide?
The InChIKey is JCSDWMSSDRIZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-5-10(3,4)12-7-9(8-12)11-15(13,14)6-2/h9,11H,5-8H2,1-4H3.
What are the key properties of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide?
N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 130272394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).