N-methylsulfonylazetidine-3-carboxamide

C5H10N2O3S — CID 118541363

IUPACN-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CNC1
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-5(8)4-2-6-3-4/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyULGXRUXMBSDNNS-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.72
Rot. Bonds2

About N-methylsulfonylazetidine-3-carboxamide

N-methylsulfonylazetidine-3-carboxamide (PubChem CID 118541363) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is N-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-methylsulfonylazetidine-3-carboxamide
PubChem CID118541363
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC NameN-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CNC1
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-5(8)4-2-6-3-4/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyULGXRUXMBSDNNS-UHFFFAOYSA-N
XLogP-1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-methoxy-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785540
N-(trifluoromethylsulfonyl)azetidine-3-carboxamide
CID 153937023
3-(methylamino)-N-methylsulfonylpropanamide
CID 58875239
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
3-(methanesulfonamido)-N-methylpropanamide
CID 60763734
1-(Methylsulfonyl)azetidine-3-carboxamide
CID 71785510
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045
2-(azetidin-3-yl)-N-methylsulfonylacetamide
CID 103287684
N-[2-(methanesulfonamido)ethyl]azetidine-3-carboxamide;hydrochloride
CID 120306639
2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide
CID 123284196

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-methylsulfonylazetidine-3-carboxamide (CID 118541363) is N-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-methylsulfonylazetidine-3-carboxamide is CS(=O)(=O)NC(=O)C1CNC1.
What is the InChIKey of N-methylsulfonylazetidine-3-carboxamide?
The InChIKey is ULGXRUXMBSDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-11(9,10)7-5(8)4-2-6-3-4/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of N-methylsulfonylazetidine-3-carboxamide?
N-methylsulfonylazetidine-3-carboxamide has a molecular weight of 178.21 g/mol, XLogP of -1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 118541363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).