2-(thiophen-2-ylmethyl)hexanediamide

C11H16N2O2S — CID 118309928

IUPAC2-(thiophen-2-ylmethyl)hexanediamide
SMILESNC(=O)CCCC(Cc1cccs1)C(N)=O
InChIInChI=1S/C11H16N2O2S/c12-10(14)5-1-3-8(11(13)15)7-9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2,(H2,12,14)(H2,13,15)
InChIKeyWZUWADWLEVAXEI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.05
Rot. Bonds7

About 2-(thiophen-2-ylmethyl)hexanediamide

2-(thiophen-2-ylmethyl)hexanediamide (PubChem CID 118309928) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)hexanediamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)hexanediamide
PubChem CID118309928
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(thiophen-2-ylmethyl)hexanediamide
SMILESNC(=O)CCCC(Cc1cccs1)C(N)=O
InChIInChI=1S/C11H16N2O2S/c12-10(14)5-1-3-8(11(13)15)7-9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2,(H2,12,14)(H2,13,15)
InChIKeyWZUWADWLEVAXEI-UHFFFAOYSA-N
XLogP1.05
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-thiophen-2-ylhexanamide
CID 137320292
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
methyl 2-(thiophen-2-ylmethyl)butanoate;methyl 3-thiophen-2-ylpropanoate
CID 158347877
thiophen-2-ylmethyl 5-aminohexanoate
CID 82846568
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
2-(4-methylphenoxy)-3-thiophen-2-ylpropanamide
CID 135281307
(2S)-2-(thiophen-2-ylmethylamino)butanediamide
CID 151018990

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)hexanediamide?
The IUPAC name of 2-(thiophen-2-ylmethyl)hexanediamide (CID 118309928) is 2-(thiophen-2-ylmethyl)hexanediamide.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)hexanediamide?
The canonical SMILES for 2-(thiophen-2-ylmethyl)hexanediamide is NC(=O)CCCC(Cc1cccs1)C(N)=O.
What is the InChIKey of 2-(thiophen-2-ylmethyl)hexanediamide?
The InChIKey is WZUWADWLEVAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-10(14)5-1-3-8(11(13)15)7-9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2,(H2,12,14)(H2,13,15).
What are the key properties of 2-(thiophen-2-ylmethyl)hexanediamide?
2-(thiophen-2-ylmethyl)hexanediamide has a molecular weight of 240.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)hexanediamide is sourced from PubChem (CID 118309928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).