6-amino-N-(1-thiophen-2-ylpropyl)hexanamide

C13H22N2OS — CID 54964033

IUPAC6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
SMILESCCC(NC(=O)CCCCCN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-2-11(12-7-6-10-17-12)15-13(16)8-4-3-5-9-14/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,15,16)
InChIKeyQKVSBPGDWZQVLZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.83
Rot. Bonds8

About 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide

6-amino-N-(1-thiophen-2-ylpropyl)hexanamide (PubChem CID 54964033) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
PubChem CID54964033
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
SMILESCCC(NC(=O)CCCCCN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-2-11(12-7-6-10-17-12)15-13(16)8-4-3-5-9-14/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,15,16)
InChIKeyQKVSBPGDWZQVLZ-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.83
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

methyl 3-(6-aminohexanoylamino)-3-thiophen-2-ylpropanoate
CID 43709873
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
CID 81086681
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
3-(5-hydroxypentanoylamino)-3-thiophen-2-ylpropanoic acid
CID 79198684
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131
3-amino-N-(dithiophen-2-ylmethyl)propanamide
CID 119331298
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide?
The IUPAC name of 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide (CID 54964033) is 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide.
What is the SMILES notation for 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide?
The canonical SMILES for 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide is CCC(NC(=O)CCCCCN)c1cccs1.
What is the InChIKey of 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide?
The InChIKey is QKVSBPGDWZQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-11(12-7-6-10-17-12)15-13(16)8-4-3-5-9-14/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide?
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide has a molecular weight of 254.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-thiophen-2-ylpropyl)hexanamide is sourced from PubChem (CID 54964033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).