3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide

C11H17N3OS — CID 103422442

IUPAC3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
SMILESCCN(CC1CC1)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C11H17N3OS/c1-2-14(6-7-3-4-7)9-5-8(12)10(16-9)11(13)15/h5,7H,2-4,6,12H2,1H3,(H2,13,15)
InChIKeyUIYXGBZBMNKCMP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide

3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide (PubChem CID 103422442) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
PubChem CID103422442
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
SMILESCCN(CC1CC1)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C11H17N3OS/c1-2-14(6-7-3-4-7)9-5-8(12)10(16-9)11(13)15/h5,7H,2-4,6,12H2,1H3,(H2,13,15)
InChIKeyUIYXGBZBMNKCMP-UHFFFAOYSA-N
XLogP1.67
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide (CID 103422442) is 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide is CCN(CC1CC1)c1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
The InChIKey is UIYXGBZBMNKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-14(6-7-3-4-7)9-5-8(12)10(16-9)11(13)15/h5,7H,2-4,6,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide?
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).