7-amino-N-(thiophen-3-ylmethyl)heptanamide

C12H20N2OS — CID 63246456

IUPAC7-amino-N-(thiophen-3-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)NCc1ccsc1
InChIInChI=1S/C12H20N2OS/c13-7-4-2-1-3-5-12(15)14-9-11-6-8-16-10-11/h6,8,10H,1-5,7,9,13H2,(H,14,15)
InChIKeyPQUPICVXSAXKGN-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.27
Rot. Bonds8

About 7-amino-N-(thiophen-3-ylmethyl)heptanamide

7-amino-N-(thiophen-3-ylmethyl)heptanamide (PubChem CID 63246456) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 7-amino-N-(thiophen-3-ylmethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(thiophen-3-ylmethyl)heptanamide
PubChem CID63246456
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name7-amino-N-(thiophen-3-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)NCc1ccsc1
InChIInChI=1S/C12H20N2OS/c13-7-4-2-1-3-5-12(15)14-9-11-6-8-16-10-11/h6,8,10H,1-5,7,9,13H2,(H,14,15)
InChIKeyPQUPICVXSAXKGN-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(thiophen-3-ylmethyl)heptanamide?
The IUPAC name of 7-amino-N-(thiophen-3-ylmethyl)heptanamide (CID 63246456) is 7-amino-N-(thiophen-3-ylmethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(thiophen-3-ylmethyl)heptanamide?
The canonical SMILES for 7-amino-N-(thiophen-3-ylmethyl)heptanamide is NCCCCCCC(=O)NCc1ccsc1.
What is the InChIKey of 7-amino-N-(thiophen-3-ylmethyl)heptanamide?
The InChIKey is PQUPICVXSAXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-7-4-2-1-3-5-12(15)14-9-11-6-8-16-10-11/h6,8,10H,1-5,7,9,13H2,(H,14,15).
What are the key properties of 7-amino-N-(thiophen-3-ylmethyl)heptanamide?
7-amino-N-(thiophen-3-ylmethyl)heptanamide has a molecular weight of 240.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(thiophen-3-ylmethyl)heptanamide is sourced from PubChem (CID 63246456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).