2-methyl-1-methylsulfonylazetidine-3-carboxamide

C6H12N2O3S — CID 177254702

IUPAC2-methyl-1-methylsulfonylazetidine-3-carboxamide
SMILESCC1C(C(N)=O)CN1S(C)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-4-5(6(7)9)3-8(4)12(2,10)11/h4-5H,3H2,1-2H3,(H2,7,9)
InChIKeyZUPFSRLEYSXEBV-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.25
Rot. Bonds2

About 2-methyl-1-methylsulfonylazetidine-3-carboxamide

2-methyl-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 177254702) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonylazetidine-3-carboxamide
PubChem CID177254702
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-methyl-1-methylsulfonylazetidine-3-carboxamide
SMILESCC1C(C(N)=O)CN1S(C)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-4-5(6(7)9)3-8(4)12(2,10)11/h4-5H,3H2,1-2H3,(H2,7,9)
InChIKeyZUPFSRLEYSXEBV-UHFFFAOYSA-N
XLogP-1.25
TPSA80.47 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 ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
1-methylsulfonylaziridine-2-carboxylate
CID 59228909
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-(methylsulfamoyl)aziridine-2-carboxamide
CID 59999333
2-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977509
(2R)-2-amino-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 120874133
1,3-dimethylpiperidine-4-carboxamide;ethane
CID 166075774
(2S)-2-amino-3-methyl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]butan-1-one
CID 154752127
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 82839173
2-methyl-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79372265
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonylazetidine-3-carboxamide (CID 177254702) is 2-methyl-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonylazetidine-3-carboxamide is CC1C(C(N)=O)CN1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is ZUPFSRLEYSXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-4-5(6(7)9)3-8(4)12(2,10)11/h4-5H,3H2,1-2H3,(H2,7,9).
What are the key properties of 2-methyl-1-methylsulfonylazetidine-3-carboxamide?
2-methyl-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 192.24 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 177254702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).