N-methylsulfonylpyrrolidine-3-carboxamide

C6H12N2O3S — CID 103287624

IUPACN-methylsulfonylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CCNC1
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)8-6(9)5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyDXFIZYDAWXGUCR-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.33
Rot. Bonds2

About N-methylsulfonylpyrrolidine-3-carboxamide

N-methylsulfonylpyrrolidine-3-carboxamide (PubChem CID 103287624) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-methylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methylsulfonylpyrrolidine-3-carboxamide
PubChem CID103287624
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-methylsulfonylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CCNC1
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)8-6(9)5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyDXFIZYDAWXGUCR-UHFFFAOYSA-N
XLogP-1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of N-methylsulfonylpyrrolidine-3-carboxamide (CID 103287624) is N-methylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methylsulfonylpyrrolidine-3-carboxamide is CS(=O)(=O)NC(=O)C1CCNC1.
What is the InChIKey of N-methylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is DXFIZYDAWXGUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-12(10,11)8-6(9)5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of N-methylsulfonylpyrrolidine-3-carboxamide?
N-methylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 192.24 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103287624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).