5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide

C12H20N2O2S — CID 79613876

IUPAC5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide
SMILESCCCC(COC)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C12H20N2O2S/c1-3-4-10(7-16-2)14-6-11-5-9(8-17-11)12(13)15/h5,8,10,14H,3-4,6-7H2,1-2H3,(H2,13,15)
InChIKeyUDUOESDIBGXBSH-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.75
Rot. Bonds8

About 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide

5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide (PubChem CID 79613876) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide
PubChem CID79613876
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide
SMILESCCCC(COC)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C12H20N2O2S/c1-3-4-10(7-16-2)14-6-11-5-9(8-17-11)12(13)15/h5,8,10,14H,3-4,6-7H2,1-2H3,(H2,13,15)
InChIKeyUDUOESDIBGXBSH-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide (CID 79613876) is 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide is CCCC(COC)NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide?
The InChIKey is UDUOESDIBGXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-10(7-16-2)14-6-11-5-9(8-17-11)12(13)15/h5,8,10,14H,3-4,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide?
5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).