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

C11H24N2O2S — CID 130272179

IUPACN-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide
SMILESCCC(C)(C)N1CC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C11H24N2O2S/c1-6-11(4,5)13-7-10(8-13)12-16(14,15)9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyJAWCGXHEEAJMEY-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.19
Rot. Bonds5

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

N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide (PubChem CID 130272179) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide
PubChem CID130272179
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide
SMILESCCC(C)(C)N1CC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C11H24N2O2S/c1-6-11(4,5)13-7-10(8-13)12-16(14,15)9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyJAWCGXHEEAJMEY-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.19
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]propane-2-sulfonamide?
The IUPAC name of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide (CID 130272179) is N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide is CCC(C)(C)N1CC(NS(=O)(=O)C(C)C)C1.
What is the InChIKey of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide?
The InChIKey is JAWCGXHEEAJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-6-11(4,5)13-7-10(8-13)12-16(14,15)9(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide?
N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.19, 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]propane-2-sulfonamide is sourced from PubChem (CID 130272179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).