N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide

C9H18N2O2S — CID 115739238

IUPACN-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
SMILESCS(=O)CCNC(=O)CC1CCCN1
InChIInChI=1S/C9H18N2O2S/c1-14(13)6-5-11-9(12)7-8-3-2-4-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyQWDXEKFFVXICJT-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.38
Rot. Bonds5

About N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide

N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 115739238) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
PubChem CID115739238
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
SMILESCS(=O)CCNC(=O)CC1CCCN1
InChIInChI=1S/C9H18N2O2S/c1-14(13)6-5-11-9(12)7-8-3-2-4-10-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyQWDXEKFFVXICJT-UHFFFAOYSA-N
XLogP-0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
CID 115740896
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
2-pyrrolidin-2-yl-N-(2-sulfamoylethyl)acetamide
CID 61371209

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide (CID 115739238) is N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide is CS(=O)CCNC(=O)CC1CCCN1.
What is the InChIKey of N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is QWDXEKFFVXICJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14(13)6-5-11-9(12)7-8-3-2-4-10-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide?
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 218.32 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 115739238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).