propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

C11H15NO3S — CID 68909741

IUPACpropyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILESCCCOC(=O)c1c(N)sc2c1CCOC2
InChIInChI=1S/C11H15NO3S/c1-2-4-15-11(13)9-7-3-5-14-6-8(7)16-10(9)12/h2-6,12H2,1H3
InChIKeyFMYYRVXAHCXTAO-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.97
Rot. Bonds3

About propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (PubChem CID 68909741) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
PubChem CID68909741
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namepropyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILESCCCOC(=O)c1c(N)sc2c1CCOC2
InChIInChI=1S/C11H15NO3S/c1-2-4-15-11(13)9-7-3-5-14-6-8(7)16-10(9)12/h2-6,12H2,1H3
InChIKeyFMYYRVXAHCXTAO-UHFFFAOYSA-N
XLogP1.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

propyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4551419
1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl)ethanone
CID 65354828
propyl 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 82056907
diethyl 2-amino-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3,6-dicarboxylate
CID 13072081
ethyl 2-amino-6,6-difluoro-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
CID 71530536
ethyl 2-amino-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 2888693
tert-butyl 2-[(2-methoxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 167900659
methyl 2-amino-6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098115
methyl 2-amino-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 82098114
ethyl 2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 155090726
propyl (6S)-6-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2164950
methyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 8934592

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The IUPAC name of propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CID 68909741) is propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.
What is the SMILES notation for propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The canonical SMILES for propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is CCCOC(=O)c1c(N)sc2c1CCOC2.
What is the InChIKey of propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The InChIKey is FMYYRVXAHCXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-4-15-11(13)9-7-3-5-14-6-8(7)16-10(9)12/h2-6,12H2,1H3.
What are the key properties of propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is sourced from PubChem (CID 68909741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).