4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide

C14H23N3O2S — CID 61106234

IUPAC4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCOC)C1CCSC1
InChIInChI=1S/C14H23N3O2S/c1-3-16-9-11(15)8-13(16)14(18)17(5-6-19-2)12-4-7-20-10-12/h8-9,12H,3-7,10,15H2,1-2H3
InChIKeyAJAANLLOBLBYEM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.68
Rot. Bonds6

About 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide (PubChem CID 61106234) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
PubChem CID61106234
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCOC)C1CCSC1
InChIInChI=1S/C14H23N3O2S/c1-3-16-9-11(15)8-13(16)14(18)17(5-6-19-2)12-4-7-20-10-12/h8-9,12H,3-7,10,15H2,1-2H3
InChIKeyAJAANLLOBLBYEM-UHFFFAOYSA-N
XLogP1.68
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 60955201
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79930252
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 61109037
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide (CID 61106234) is 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(CCOC)C1CCSC1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
The InChIKey is AJAANLLOBLBYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-9-11(15)8-13(16)14(18)17(5-6-19-2)12-4-7-20-10-12/h8-9,12H,3-7,10,15H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61106234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).