N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide

C11H17N5O3S — CID 121187533

IUPACN-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CC(Nc2ncccn2)C1)S(C)(=O)=O
InChIInChI=1S/C11H17N5O3S/c1-15(20(2,18)19)8-10(17)16-6-9(7-16)14-11-12-4-3-5-13-11/h3-5,9H,6-8H2,1-2H3,(H,12,13,14)
InChIKeyWRLCWXYTIHMMPP-UHFFFAOYSA-N
MW299.36 g/mol
LogP-1.01
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide (PubChem CID 121187533) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide
PubChem CID121187533
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC NameN-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CC(Nc2ncccn2)C1)S(C)(=O)=O
InChIInChI=1S/C11H17N5O3S/c1-15(20(2,18)19)8-10(17)16-6-9(7-16)14-11-12-4-3-5-13-11/h3-5,9H,6-8H2,1-2H3,(H,12,13,14)
InChIKeyWRLCWXYTIHMMPP-UHFFFAOYSA-N
XLogP-1.01
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]propan-1-one
CID 121187360
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039
N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122249265
2-(4-methylphenoxy)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethanone
CID 121187472
3-phenyl-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]butan-1-one
CID 121187552
1-phenyl-4-[3-(pyrimidin-2-ylamino)azetidin-1-yl]butane-1,4-dione
CID 121187428
N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 136534158
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 176934296
3-(4-fluoro-3-methylphenyl)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]propan-1-one
CID 121187398
N-[2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71878440
N-methyl-N-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122343492
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide (CID 121187533) is N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide is CN(CC(=O)N1CC(Nc2ncccn2)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WRLCWXYTIHMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-15(20(2,18)19)8-10(17)16-6-9(7-16)14-11-12-4-3-5-13-11/h3-5,9H,6-8H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 299.36 g/mol, XLogP of -1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[3-(pyrimidin-2-ylamino)azetidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 121187533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).