2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

C11H22N2O3S — CID 110345330

IUPAC2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-6-9-17(15,16)13-7-4-5-8-13/h4-9H2,1-3H3,(H,12,14)
InChIKeyWULLSYANQGNSQR-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds4

About 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (PubChem CID 110345330) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
PubChem CID110345330
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-6-9-17(15,16)13-7-4-5-8-13/h4-9H2,1-3H3,(H,12,14)
InChIKeyWULLSYANQGNSQR-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-sulfamoylbutanamide
CID 23588047
N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylsulfonyl]propanamide
CID 176637980
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
N-(3-amino-2,2-difluoropropyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 120408190
N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
CID 136519936
1-(3-Amino-2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713543
1-[3-(Ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713720
3-(2,2-Dimethylpropanoylamino)propane-1-sulfonate
CID 20672710
N-butyl-4-methyl-1,1-dioxodithiolane-4-carboxamide
CID 46236068
N-butyl-4-methyl-1-oxodithiolane-4-carboxamide
CID 46236069
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)pivalamide
CID 47157030
N-[2-(ethylsulfonylamino)ethyl]-2-methylpropanamide
CID 57561784

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (CID 110345330) is 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is CC(C)(C)C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The InChIKey is WULLSYANQGNSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)10(14)12-6-9-17(15,16)13-7-4-5-8-13/h4-9H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is sourced from PubChem (CID 110345330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).