4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide

C7H14N2O3S — CID 103287565

IUPAC4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-5-3-8-4-6(5)7(10)9-13(2,11)12/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyAOJZRSAHKAAWSH-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.08
Rot. Bonds2

About 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide

4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide (PubChem CID 103287565) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide
PubChem CID103287565
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-5-3-8-4-6(5)7(10)9-13(2,11)12/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyAOJZRSAHKAAWSH-UHFFFAOYSA-N
XLogP-1.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344
1-(Methylsulfamoyl)pyrrolidine-3-carboxamide
CID 59999324
1-Methylsulfonylpyrrolidine-3-carboxamide
CID 69948449
(3S)-N-sulfamoylpyrrolidine-3-carboxamide
CID 89667544
(3S)-N-methylsulfonylpyrrolidine-3-carboxamide
CID 89667623
N-Methanesulfonylpyrrolidine-3-carboxamide
CID 103287624
N-(Cyclopropanesulfonyl)pyrrolidine-3-carboxamide
CID 103308539
1-Methylsulfonylpyrrolidine-3-carboxamide;hydrochloride
CID 118876277
N-methyl-1-methylsulfonylpyrrolidine-3-carboxamide
CID 130802433
5-Methylsulfonyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-one
CID 141763650
N-methylsulfanylpyrrolidine-3-carboxamide
CID 153927965
1-iodo-N-methylsulfonylpyrrolidine-3-carboxamide
CID 155308503

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide (CID 103287565) is 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NS(C)(=O)=O.
What is the InChIKey of 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is AOJZRSAHKAAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5-3-8-4-6(5)7(10)9-13(2,11)12/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide?
4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 206.27 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103287565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).