N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide

C13H22N2OS — CID 119500853

IUPACN-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
SMILESCNCCNC(=O)CCCCCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-14-9-10-15-13(16)8-4-2-3-6-12-7-5-11-17-12/h5,7,11,14H,2-4,6,8-10H2,1H3,(H,15,16)
InChIKeyIDEQENBHPDKZFG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.19
Rot. Bonds9

About N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide

N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide (PubChem CID 119500853) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
PubChem CID119500853
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
SMILESCNCCNC(=O)CCCCCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-14-9-10-15-13(16)8-4-2-3-6-12-7-5-11-17-12/h5,7,11,14H,2-4,6,8-10H2,1H3,(H,15,16)
InChIKeyIDEQENBHPDKZFG-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.19
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

N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
5-thiophen-2-ylpentanehydrazide
CID 70194284
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
6-thiophen-2-ylhexanamide
CID 137320292
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide (CID 119500853) is N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide is CNCCNC(=O)CCCCCc1cccs1.
What is the InChIKey of N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide?
The InChIKey is IDEQENBHPDKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-14-9-10-15-13(16)8-4-2-3-6-12-7-5-11-17-12/h5,7,11,14H,2-4,6,8-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide?
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide has a molecular weight of 254.40 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide is sourced from PubChem (CID 119500853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).