N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide

C11H22N2O3S — CID 119786793

IUPACN-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCS(=O)(=O)CC(C)NC(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)8-9(2)13-11(14)7-10-5-4-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXBZHOKIIGVEVHU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide

N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119786793) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID119786793
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCS(=O)(=O)CC(C)NC(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)8-9(2)13-11(14)7-10-5-4-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXBZHOKIIGVEVHU-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115739941
N-(5-methylhexan-2-yl)-2-piperidin-2-ylacetamide
CID 63926106
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786372
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-(3-methylpentan-2-yl)-2-piperidin-2-ylacetamide
CID 61463782
N-(dicyclopropylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366652
N-propylsulfonyl-2-pyrrolidin-2-ylacetamide
CID 103307605
(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
CID 103869971
methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
CID 119748439
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide (CID 119786793) is N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide is CCS(=O)(=O)CC(C)NC(=O)CC1CCCN1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is XBZHOKIIGVEVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-17(15,16)8-9(2)13-11(14)7-10-5-4-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119786793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).