3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide

C16H25N3OS — CID 103421451

IUPAC3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N(C)CC2CCC2)c(C2CC2)c1N
InChIInChI=1S/C16H25N3OS/c1-18(2)15(20)14-13(17)12(11-7-8-11)16(21-14)19(3)9-10-5-4-6-10/h10-11H,4-9,17H2,1-3H3
InChIKeyVIYSAOKPSWBIRL-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.15
Rot. Bonds5

About 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide

3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103421451) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
PubChem CID103421451
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N(C)CC2CCC2)c(C2CC2)c1N
InChIInChI=1S/C16H25N3OS/c1-18(2)15(20)14-13(17)12(11-7-8-11)16(21-14)19(3)9-10-5-4-6-10/h10-11H,4-9,17H2,1-3H3
InChIKeyVIYSAOKPSWBIRL-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-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

1-[3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103417945
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103423662
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103420397
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103421487

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide (CID 103421451) is 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(N(C)CC2CCC2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is VIYSAOKPSWBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-18(2)15(20)14-13(17)12(11-7-8-11)16(21-14)19(3)9-10-5-4-6-10/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103421451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).