1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one

C15H21N3O3S — CID 9055527

IUPAC1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1CCNC1=O
InChIInChI=1S/C15H21N3O3S/c19-14(18-6-5-16-15(18)20)11-17(9-12-3-1-7-21-12)10-13-4-2-8-22-13/h2,4,8,12H,1,3,5-7,9-11H2,(H,16,20)/t12-/m0/s1
InChIKeyVTNJXUQNQAITJT-LBPRGKRZSA-N
MW323.42 g/mol
LogP1.28
Rot. Bonds6

About 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one

1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 9055527) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
PubChem CID9055527
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1CCNC1=O
InChIInChI=1S/C15H21N3O3S/c19-14(18-6-5-16-15(18)20)11-17(9-12-3-1-7-21-12)10-13-4-2-8-22-13/h2,4,8,12H,1,3,5-7,9-11H2,(H,16,20)/t12-/m0/s1
InChIKeyVTNJXUQNQAITJT-LBPRGKRZSA-N
XLogP1.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9055459
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanone
CID 41187999
N-(methylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055441
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 8926089
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40919131
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 124742901
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(cyclopropylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055537
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296343
N-(4-morpholin-4-ylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40790537

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one (CID 9055527) is 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one is O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1CCNC1=O.
What is the InChIKey of 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is VTNJXUQNQAITJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-14(18-6-5-16-15(18)20)11-17(9-12-3-1-7-21-12)10-13-4-2-8-22-13/h2,4,8,12H,1,3,5-7,9-11H2,(H,16,20)/t12-/m0/s1.
What are the key properties of 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 323.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9055527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).