N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C12H25ClN2O3S — CID 119786372

IUPACN-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-4-18(16,17)9-10(2)14(3)12(15)8-11-6-5-7-13-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyWGCUBBJWOMJIKR-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.83
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119786372) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119786372
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCS(=O)(=O)CC(C)N(C)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-4-18(16,17)9-10(2)14(3)12(15)8-11-6-5-7-13-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyWGCUBBJWOMJIKR-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pentan-3-yl-2-pyrrolidin-2-ylacetamide
CID 61371384
N-(dicyclopropylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760619
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365041
N-ethyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide
CID 61372730
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119786793
N-cyclopropyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119728069
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-methyl-N-(2-methylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61372375
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
N-methyl-N-(3-methylbutyl)-2-pyrrolidin-2-ylacetamide
CID 61363889
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
N-(cyclobutylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770691

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119786372) is N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride is CCS(=O)(=O)CC(C)N(C)C(=O)CC1CCCN1.Cl.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is WGCUBBJWOMJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-4-18(16,17)9-10(2)14(3)12(15)8-11-6-5-7-13-11;/h10-11,13H,4-9H2,1-3H3;1H.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119786372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).