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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Related Compounds

1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone
CID 89037150
(3R,4R)-4-cyclopropyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120978126
N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide
CID 121187533
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039
N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 94093975
N-[2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71878440
N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 56765694
N-[2-[3-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122275004
N-[2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 75479749
6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 47417132
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
CID 120820193
N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 55607982

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).