methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate

C13H17NO4S — CID 35252676

IUPACmethyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)s1
InChIInChI=1S/C13H17NO4S/c1-8(9-4-3-7-18-9)14-12(15)10-5-6-11(19-10)13(16)17-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyHYUIMNGJDDOCDL-DTWKUNHWSA-N
MW283.35 g/mol
LogP1.83
Rot. Bonds4

About methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate

methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate (PubChem CID 35252676) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
PubChem CID35252676
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namemethyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)s1
InChIInChI=1S/C13H17NO4S/c1-8(9-4-3-7-18-9)14-12(15)10-5-6-11(19-10)13(16)17-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyHYUIMNGJDDOCDL-DTWKUNHWSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate (CID 35252676) is methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)s1.
What is the InChIKey of methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate?
The InChIKey is HYUIMNGJDDOCDL-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-8(9-4-3-7-18-9)14-12(15)10-5-6-11(19-10)13(16)17-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate?
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 35252676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).