1-thieno[3,2-b]thiophen-5-ylundecan-1-amine

C17H27NS2 — CID 115846032

IUPAC1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
SMILESCCCCCCCCCCC(N)c1cc2sccc2s1
InChIInChI=1S/C17H27NS2/c1-2-3-4-5-6-7-8-9-10-14(18)16-13-17-15(20-16)11-12-19-17/h11-14H,2-10,18H2,1H3
InChIKeyFNUANFIVSNAYSV-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.49
Rot. Bonds10

About 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine

1-thieno[3,2-b]thiophen-5-ylundecan-1-amine (PubChem CID 115846032) has the molecular formula C17H27NS2 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine.

Molecular Properties

Compound Name1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
PubChem CID115846032
Molecular FormulaC17H27NS2
Molecular Weight309.54 g/mol
Exact Mass309.16
IUPAC Name1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
SMILESCCCCCCCCCCC(N)c1cc2sccc2s1
InChIInChI=1S/C17H27NS2/c1-2-3-4-5-6-7-8-9-10-14(18)16-13-17-15(20-16)11-12-19-17/h11-14H,2-10,18H2,1H3
InChIKeyFNUANFIVSNAYSV-UHFFFAOYSA-N
XLogP6.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine?
The IUPAC name of 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine (CID 115846032) is 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine.
What is the SMILES notation for 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine?
The canonical SMILES for 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine is CCCCCCCCCCC(N)c1cc2sccc2s1.
What is the InChIKey of 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine?
The InChIKey is FNUANFIVSNAYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS2/c1-2-3-4-5-6-7-8-9-10-14(18)16-13-17-15(20-16)11-12-19-17/h11-14H,2-10,18H2,1H3.
What are the key properties of 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine?
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine has a molecular weight of 309.54 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]thiophen-5-ylundecan-1-amine is sourced from PubChem (CID 115846032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).