3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide

C16H20N2OS2 — CID 66010620

IUPAC3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)C1
InChIInChI=1S/C16H20N2OS2/c17-13-6-5-12(9-13)16(19)18(10-14-3-1-7-20-14)11-15-4-2-8-21-15/h1-4,7-8,12-13H,5-6,9-11,17H2
InChIKeyDFAGGRNUCBTZOP-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.47
Rot. Bonds5

About 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide

3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 66010620) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID66010620
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)C1
InChIInChI=1S/C16H20N2OS2/c17-13-6-5-12(9-13)16(19)18(10-14-3-1-7-20-14)11-15-4-2-8-21-15/h1-4,7-8,12-13H,5-6,9-11,17H2
InChIKeyDFAGGRNUCBTZOP-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide (CID 66010620) is 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)C1.
What is the InChIKey of 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is DFAGGRNUCBTZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c17-13-6-5-12(9-13)16(19)18(10-14-3-1-7-20-14)11-15-4-2-8-21-15/h1-4,7-8,12-13H,5-6,9-11,17H2.
What are the key properties of 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide?
3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(thiophen-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66010620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).