3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide

C11H19N3OS2 — CID 103425578

IUPAC3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCCC(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C11H19N3OS2/c1-6(2)4-5-14-11-9(16-3)7(12)8(17-11)10(13)15/h6,14H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyDDYQMBLBYYIURD-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.61
Rot. Bonds6

About 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103425578) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103425578
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCCC(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C11H19N3OS2/c1-6(2)4-5-14-11-9(16-3)7(12)8(17-11)10(13)15/h6,14H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyDDYQMBLBYYIURD-UHFFFAOYSA-N
XLogP2.61
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103423765
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
methyl 3-amino-5-(4-methylpentylamino)-4-methylsulfanylthiophene-2-carboxylate
CID 103507038
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103505688
3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103427551
1-[3-amino-4-methylsulfanyl-5-(pentylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425378
3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103425470
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423070
1-[3-amino-4-methylsulfanyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103526322
1-[3-amino-5-(3-methoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103427005
ethyl 3-amino-4-methylsulfanyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxylate
CID 103506442
1-[3-amino-5-(3-ethoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103426380

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide (CID 103425578) is 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(NCCC(C)C)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is DDYQMBLBYYIURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-6(2)4-5-14-11-9(16-3)7(12)8(17-11)10(13)15/h6,14H,4-5,12H2,1-3H3,(H2,13,15).
What are the key properties of 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 273.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103425578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).