3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide

C10H17N3OS — CID 103420375

IUPAC3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide
SMILESCCCCN(C)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C10H17N3OS/c1-3-4-5-13(2)8-6-7(11)9(15-8)10(12)14/h6H,3-5,11H2,1-2H3,(H2,12,14)
InChIKeyXMZNWHMAUIZXPY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide

3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide (PubChem CID 103420375) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide
PubChem CID103420375
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide
SMILESCCCCN(C)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C10H17N3OS/c1-3-4-5-13(2)8-6-7(11)9(15-8)10(12)14/h6H,3-5,11H2,1-2H3,(H2,12,14)
InChIKeyXMZNWHMAUIZXPY-UHFFFAOYSA-N
XLogP1.67
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103417679
3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417808
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103417820
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
CID 25223449
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
5-[butyl(methyl)amino]thiophene-2-carbaldehyde
CID 59211607
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide (CID 103420375) is 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide is CCCCN(C)c1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide?
The InChIKey is XMZNWHMAUIZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-5-13(2)8-6-7(11)9(15-8)10(12)14/h6H,3-5,11H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide?
3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide has a molecular weight of 227.33 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-[butyl(methyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103420375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).