[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate

C15H21NO3S — CID 119099328

IUPAC[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCCC1
InChIInChI=1S/C15H21NO3S/c1-11(17)19-14(2,3)13(18)16-15(8-4-5-9-15)12-7-6-10-20-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyHJIBGSVTIKGABD-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.98
Rot. Bonds4

About [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate

[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate (PubChem CID 119099328) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate
PubChem CID119099328
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCCC1
InChIInChI=1S/C15H21NO3S/c1-11(17)19-14(2,3)13(18)16-15(8-4-5-9-15)12-7-6-10-20-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyHJIBGSVTIKGABD-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
CID 146535079
2,5-dimethyl-N-(1-thiophen-2-ylcyclopentyl)furan-3-carboxamide
CID 121016515
2-(2-fluorophenoxy)-N-(1-thiophen-2-ylcyclopentyl)acetamide
CID 119099271
[1-[(2-hydroxy-2,2-dithiophen-2-ylethyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 121018434
7-methoxy-N-(1-thiophen-2-ylcyclopentyl)-1-benzofuran-2-carboxamide
CID 121016532
methyl 2-methyl-3-[(1-thiophen-2-ylcyclopentyl)carbamothioylamino]benzoate
CID 100769087
N-(1-thiophen-2-ylcyclopentyl)-1,3-benzothiazole-2-carboxamide
CID 119099273
1-(3-methoxyphenyl)-3-(1-thiophen-2-ylcyclopentyl)thiourea
CID 100766082
[1-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 100721399
2,2-dimethyl-N-[2-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111637073
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
methyl (1S)-2-oxo-1-thiophen-2-ylcyclopentane-1-carboxylate
CID 134967494

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate (CID 119099328) is [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCCC1.
What is the InChIKey of [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate?
The InChIKey is HJIBGSVTIKGABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11(17)19-14(2,3)13(18)16-15(8-4-5-9-15)12-7-6-10-20-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate?
[2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate has a molecular weight of 295.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-oxo-1-[(1-thiophen-2-ylcyclopentyl)amino]propan-2-yl] acetate is sourced from PubChem (CID 119099328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).