N-methyl-1-methylsulfonylazetidine-3-carboxamide

C6H12N2O3S — CID 90513045

IUPACN-methyl-1-methylsulfonylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H12N2O3S/c1-7-6(9)5-3-8(4-5)12(2,10)11/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyMAROWDRGYDDELR-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.38
Rot. Bonds2

About N-methyl-1-methylsulfonylazetidine-3-carboxamide

N-methyl-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513045) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513045
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-methyl-1-methylsulfonylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H12N2O3S/c1-7-6(9)5-3-8(4-5)12(2,10)11/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyMAROWDRGYDDELR-UHFFFAOYSA-N
XLogP-1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785531
N,N-dimethyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785455
3-(methylamino)-N-methylsulfonylpropanamide
CID 58875239
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
2-methyl-N-(sulfamoylmethyl)propanamide
CID 59804424
3-(methanesulfonamido)-N,N-dimethylpropanamide
CID 60763685
3-(methanesulfonamido)-N-methylpropanamide
CID 60763734
1-(Methylsulfonyl)azetidine-3-carboxamide
CID 71785510
2-(azetidin-3-yl)-N-methylsulfonylacetamide
CID 103287684
N-ethyl-3-(methanesulfonamido)propanamide
CID 115580014
N-methanesulfonylazetidine-3-carboxamide
CID 118541363
N-[2-(methanesulfonamido)ethyl]azetidine-3-carboxamide;hydrochloride
CID 120306639

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonylazetidine-3-carboxamide (CID 90513045) is N-methyl-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonylazetidine-3-carboxamide is CNC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is MAROWDRGYDDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-7-6(9)5-3-8(4-5)12(2,10)11/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-methyl-1-methylsulfonylazetidine-3-carboxamide?
N-methyl-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 192.24 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).