3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide

C11H22N2O3S — CID 71868248

IUPAC3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C11H22N2O3S/c1-9(7-17(4,15)16)12-10(14)13-6-5-11(2,3)8-13/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyJVAPWOFKWWPYBX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.86
Rot. Bonds3

About 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide

3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 71868248) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID71868248
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C11H22N2O3S/c1-9(7-17(4,15)16)12-10(14)13-6-5-11(2,3)8-13/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyJVAPWOFKWWPYBX-UHFFFAOYSA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115626187
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64642274
tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104537826
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319
4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
CID 65282846
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622
N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
CID 167857598
(2R)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107828378
N-ethoxy-3,3-dimethylpyrrolidine-1-carboxamide
CID 130616127
3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
CID 115661017

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide (CID 71868248) is 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide is CC(CS(C)(=O)=O)NC(=O)N1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is JVAPWOFKWWPYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(7-17(4,15)16)12-10(14)13-6-5-11(2,3)8-13/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide?
3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71868248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).