2-methylsulfonylpyrrolidine-1-carboxamide

C6H12N2O3S — CID 54245409

IUPAC2-methylsulfonylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)C1CCCN1C(N)=O
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyQSYDYPBYDHWQIB-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.47
Rot. Bonds1

About 2-methylsulfonylpyrrolidine-1-carboxamide

2-methylsulfonylpyrrolidine-1-carboxamide (PubChem CID 54245409) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-methylsulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methylsulfonylpyrrolidine-1-carboxamide
PubChem CID54245409
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-methylsulfonylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)C1CCCN1C(N)=O
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyQSYDYPBYDHWQIB-UHFFFAOYSA-N
XLogP-0.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonylpiperidine-1-carboxamide
CID 141152910
tert-butyl 2-methylsulfonylpiperidine-1-carboxylate
CID 69044724
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-(dimethylamino)pyrrolidine-1-carboxamide
CID 90427643
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
4-methylsulfonylpiperidine-1-carboxamide
CID 130659169
(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
CID 90936720
N'-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboximidamide
CID 104521804
2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
2-[methyl(methylsulfonyl)amino]pyrrolidine-1-carboxylic acid
CID 69106665
2-cyclopropylpiperidine-1-carboxamide
CID 140765289

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpyrrolidine-1-carboxamide?
The IUPAC name of 2-methylsulfonylpyrrolidine-1-carboxamide (CID 54245409) is 2-methylsulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methylsulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-methylsulfonylpyrrolidine-1-carboxamide is CS(=O)(=O)C1CCCN1C(N)=O.
What is the InChIKey of 2-methylsulfonylpyrrolidine-1-carboxamide?
The InChIKey is QSYDYPBYDHWQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-12(10,11)5-3-2-4-8(5)6(7)9/h5H,2-4H2,1H3,(H2,7,9).
What are the key properties of 2-methylsulfonylpyrrolidine-1-carboxamide?
2-methylsulfonylpyrrolidine-1-carboxamide has a molecular weight of 192.24 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 54245409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).