N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide

C8H16N2O3S — CID 170120086

IUPACN-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide
SMILESCC(C)C(=O)N1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6(2)8(11)10-4-7(5-10)9-14(3,12)13/h6-7,9H,4-5H2,1-3H3
InChIKeyCASTZSBMUFKTDB-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds3

About N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide

N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide (PubChem CID 170120086) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide
PubChem CID170120086
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide
SMILESCC(C)C(=O)N1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6(2)8(11)10-4-7(5-10)9-14(3,12)13/h6-7,9H,4-5H2,1-3H3
InChIKeyCASTZSBMUFKTDB-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide (CID 170120086) is N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide is CC(C)C(=O)N1CC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide?
The InChIKey is CASTZSBMUFKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(2)8(11)10-4-7(5-10)9-14(3,12)13/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide?
N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide is sourced from PubChem (CID 170120086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).