2-amino-N-(3-cyanothiophen-2-yl)pentanamide

C10H13N3OS — CID 61259478

IUPAC2-amino-N-(3-cyanothiophen-2-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1sccc1C#N
InChIInChI=1S/C10H13N3OS/c1-2-3-8(12)9(14)13-10-7(6-11)4-5-15-10/h4-5,8H,2-3,12H2,1H3,(H,13,14)
InChIKeyVZLKTPMDFQXBRV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-N-(3-cyanothiophen-2-yl)pentanamide

2-amino-N-(3-cyanothiophen-2-yl)pentanamide (PubChem CID 61259478) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-amino-N-(3-cyanothiophen-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanothiophen-2-yl)pentanamide
PubChem CID61259478
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-amino-N-(3-cyanothiophen-2-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1sccc1C#N
InChIInChI=1S/C10H13N3OS/c1-2-3-8(12)9(14)13-10-7(6-11)4-5-15-10/h4-5,8H,2-3,12H2,1H3,(H,13,14)
InChIKeyVZLKTPMDFQXBRV-UHFFFAOYSA-N
XLogP1.69
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(3-cyanothiophen-2-yl)pentanamide 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

2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
CID 65228936
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
1-butyl-3-(3-cyanothiophen-2-yl)urea
CID 2078770
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
(2R)-N-(3-cyanothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9275051
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249660
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)pentanamide?
The IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)pentanamide (CID 61259478) is 2-amino-N-(3-cyanothiophen-2-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-cyanothiophen-2-yl)pentanamide?
The canonical SMILES for 2-amino-N-(3-cyanothiophen-2-yl)pentanamide is CCCC(N)C(=O)Nc1sccc1C#N.
What is the InChIKey of 2-amino-N-(3-cyanothiophen-2-yl)pentanamide?
The InChIKey is VZLKTPMDFQXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-3-8(12)9(14)13-10-7(6-11)4-5-15-10/h4-5,8H,2-3,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(3-cyanothiophen-2-yl)pentanamide?
2-amino-N-(3-cyanothiophen-2-yl)pentanamide has a molecular weight of 223.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanothiophen-2-yl)pentanamide is sourced from PubChem (CID 61259478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).