N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C10H20N2O4S — CID 136534158

IUPACN-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC(C(C)(C)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-10(2,14)8-5-12(6-8)9(13)7-11(3)17(4,15)16/h8,14H,5-7H2,1-4H3
InChIKeyYKFOYRZQPHFHFF-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.89
Rot. Bonds4

About N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 136534158) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID136534158
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CC(C(C)(C)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-10(2,14)8-5-12(6-8)9(13)7-11(3)17(4,15)16/h8,14H,5-7H2,1-4H3
InChIKeyYKFOYRZQPHFHFF-UHFFFAOYSA-N
XLogP-0.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 136534158) is N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CC(C(C)(C)O)C1)S(C)(=O)=O.
What is the InChIKey of N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is YKFOYRZQPHFHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,14)8-5-12(6-8)9(13)7-11(3)17(4,15)16/h8,14H,5-7H2,1-4H3.
What are the key properties of N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 136534158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).