[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate

C16H23NO4S — CID 1470140

IUPAC[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
SMILESCC(C)C[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H23NO4S/c1-11(2)9-13(21-16(19)14-6-4-8-22-14)15(18)17-10-12-5-3-7-20-12/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyAEFGPJJTDXJVLW-STQMWFEESA-N
MW325.43 g/mol
LogP2.61
Rot. Bonds7

About [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate

[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate (PubChem CID 1470140) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
PubChem CID1470140
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
SMILESCC(C)C[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H23NO4S/c1-11(2)9-13(21-16(19)14-6-4-8-22-14)15(18)17-10-12-5-3-7-20-12/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyAEFGPJJTDXJVLW-STQMWFEESA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470171
[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 1470132
[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470258
[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 3220275
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
CID 95591821
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028
[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3863781
3-[(2S)-oxolan-2-yl]propyl thiophene-2-carboxylate
CID 99822015

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate (CID 1470140) is [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate is CC(C)C[C@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate?
The InChIKey is AEFGPJJTDXJVLW-STQMWFEESA-N. The full InChI is InChI=1S/C16H23NO4S/c1-11(2)9-13(21-16(19)14-6-4-8-22-14)15(18)17-10-12-5-3-7-20-12/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate?
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 1470140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).