N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide

C11H22N2O2S — CID 115740896

IUPACN-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(CCNC(=O)CC1CCCN1)S(C)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(2)15)5-7-13-11(14)8-10-4-3-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyKYJMGFMIXRUJRS-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.40
Rot. Bonds6

About N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide

N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 115740896) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
PubChem CID115740896
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(CCNC(=O)CC1CCCN1)S(C)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(2)15)5-7-13-11(14)8-10-4-3-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyKYJMGFMIXRUJRS-UHFFFAOYSA-N
XLogP0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 106247356
(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
CID 103813133
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740886
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide (CID 115740896) is N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide is CC(CCNC(=O)CC1CCCN1)S(C)=O.
What is the InChIKey of N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is KYJMGFMIXRUJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(16(2)15)5-7-13-11(14)8-10-4-3-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide?
N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 246.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 115740896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).