[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

CID 47307968
CID 47307968
CID 81462600
CID 81462600
CID 103028923
CID 103028923
CID 103029178
CID 103029178
CID 112605407
CID 112605407
CID 112686851
CID 112686851
CID 113766547
CID 113766547
CID 113766592
CID 113766592
CID 115950033
CID 115950033
CID 119099320
CID 119099320
CID 119104243
CID 119104243
CID 129357296
CID 129357296

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).