1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C14H25N3O3S — CID 71872587

IUPAC1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCS(=O)(=O)CCN1CCC(N(C)Cc2ncc(C)o2)C1
InChIInChI=1S/C14H25N3O3S/c1-4-21(18,19)8-7-17-6-5-13(10-17)16(3)11-14-15-9-12(2)20-14/h9,13H,4-8,10-11H2,1-3H3
InChIKeyWSZRBEBMDZCEPK-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.92
Rot. Bonds7

About 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71872587) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71872587
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCS(=O)(=O)CCN1CCC(N(C)Cc2ncc(C)o2)C1
InChIInChI=1S/C14H25N3O3S/c1-4-21(18,19)8-7-17-6-5-13(10-17)16(3)11-14-15-9-12(2)20-14/h9,13H,4-8,10-11H2,1-3H3
InChIKeyWSZRBEBMDZCEPK-UHFFFAOYSA-N
XLogP0.92
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 71857462
N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71872540
N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 71872553
N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 71872556
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
CID 71928346
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(1-propylpyrrolidin-3-yl)acetamide
CID 71928352
2-[(5-Propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 72015278
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
CID 72122768
3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 72122771
5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole
CID 164633213
(1,1-dioxo-1,4-thiazinan-4-yl)-[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 132330898
(3S,4S)-N,N-dimethyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 146124783

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71872587) is 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CCS(=O)(=O)CCN1CCC(N(C)Cc2ncc(C)o2)C1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WSZRBEBMDZCEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-21(18,19)8-7-17-6-5-13(10-17)16(3)11-14-15-9-12(2)20-14/h9,13H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 315.44 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71872587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).