1-methylsulfonylazetidine-3-carboxamide

C5H10N2O3S — CID 71785510

IUPAC1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-2-4(3-7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)
InChIKeyXKPMKCQKVQOZHP-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.64
Rot. Bonds2

About 1-methylsulfonylazetidine-3-carboxamide

1-methylsulfonylazetidine-3-carboxamide (PubChem CID 71785510) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonylazetidine-3-carboxamide
PubChem CID71785510
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C5H10N2O3S/c1-11(9,10)7-2-4(3-7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)
InChIKeyXKPMKCQKVQOZHP-UHFFFAOYSA-N
XLogP-1.64
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785455
N-methoxy-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785540
1-(Cyclopropylsulfonyl)azetidine-3-carboxamide
CID 71785600
3-(methylamino)-N-methylsulfonylpropanamide
CID 58875239
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
2-(1-Methylsulfonylazetidin-3-yl)acetamide
CID 89422771
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045
N-methanesulfonylazetidine-3-carboxamide
CID 118541363
N-[dimethyl(oxo)-lambda6-sulfanylidene]azetidine-3-carboxamide
CID 130581994
1-Sulfamoylazetidine-3-carboxamide
CID 130786440
1-ethyl-N-methylsulfanylazetidine-3-carboxamide
CID 156125620
1-[3-(Methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
CID 162460106

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonylazetidine-3-carboxamide (CID 71785510) is 1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonylazetidine-3-carboxamide is CS(=O)(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is XKPMKCQKVQOZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c1-11(9,10)7-2-4(3-7)5(6)8/h4H,2-3H2,1H3,(H2,6,8).
What are the key properties of 1-methylsulfonylazetidine-3-carboxamide?
1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 178.21 g/mol, XLogP of -1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).