1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one

C15H22N2OS — CID 103423911

IUPAC1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC2CCCC2)c(C2CC2)c1N
InChIInChI=1S/C15H22N2OS/c1-2-11(18)14-13(16)12(9-7-8-9)15(19-14)17-10-5-3-4-6-10/h9-10,17H,2-8,16H2,1H3
InChIKeyRPFRLNAJKVPIJP-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.15
Rot. Bonds5

About 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one

1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one (PubChem CID 103423911) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
PubChem CID103423911
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC2CCCC2)c(C2CC2)c1N
InChIInChI=1S/C15H22N2OS/c1-2-11(18)14-13(16)12(9-7-8-9)15(19-14)17-10-5-3-4-6-10/h9-10,17H,2-8,16H2,1H3
InChIKeyRPFRLNAJKVPIJP-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one 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-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103423662
1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526642
3-amino-4-cyclopropyl-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525554
1-[3-amino-4-cyclopropyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505948
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one (CID 103423911) is 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one is CCC(=O)c1sc(NC2CCCC2)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
The InChIKey is RPFRLNAJKVPIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-11(18)14-13(16)12(9-7-8-9)15(19-14)17-10-5-3-4-6-10/h9-10,17H,2-8,16H2,1H3.
What are the key properties of 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one has a molecular weight of 278.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one is sourced from PubChem (CID 103423911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).