1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one

C14H22N2O2S — CID 91835377

IUPAC1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one
SMILESCc1ccsc1CN(CCO)CCN1CCCC1=O
InChIInChI=1S/C14H22N2O2S/c1-12-4-10-19-13(12)11-15(8-9-17)6-7-16-5-2-3-14(16)18/h4,10,17H,2-3,5-9,11H2,1H3
InChIKeyUZUHKSIIRXZGSS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.47
Rot. Bonds7

About 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one

1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 91835377) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one
PubChem CID91835377
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one
SMILESCc1ccsc1CN(CCO)CCN1CCCC1=O
InChIInChI=1S/C14H22N2O2S/c1-12-4-10-19-13(12)11-15(8-9-17)6-7-16-5-2-3-14(16)18/h4,10,17H,2-3,5-9,11H2,1H3
InChIKeyUZUHKSIIRXZGSS-UHFFFAOYSA-N
XLogP1.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8749161
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9395109
(2R)-N-(2-hydroxyethyl)-1-methyl-N-[(3-methylthiophen-2-yl)methyl]azepane-2-carboxamide
CID 95123004
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
1-[2-[5-hydroxypentyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 111122278
CID 172777676
CID 172777676
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-[2-(3-methylthiophen-2-yl)acetyl]piperidin-3-one
CID 115277128
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidin-2-one
CID 111544106
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
CID 134700180

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one (CID 91835377) is 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one is Cc1ccsc1CN(CCO)CCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is UZUHKSIIRXZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-4-10-19-13(12)11-15(8-9-17)6-7-16-5-2-3-14(16)18/h4,10,17H,2-3,5-9,11H2,1H3.
What are the key properties of 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 282.41 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 91835377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).