4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

C17H25NOS2 — CID 104993082

IUPAC4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cc2sccc2s1
InChIInChI=1S/C17H25NOS2/c1-2-9-18-14(7-3-5-13-6-4-10-19-13)16-12-17-15(21-16)8-11-20-17/h8,11-14,18H,2-7,9-10H2,1H3
InChIKeyCKCVNBQGVRLQSH-UHFFFAOYSA-N
MW323.53 g/mol
LogP5.35
Rot. Bonds8

About 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (PubChem CID 104993082) has the molecular formula C17H25NOS2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
PubChem CID104993082
Molecular FormulaC17H25NOS2
Molecular Weight323.53 g/mol
Exact Mass323.14
IUPAC Name4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cc2sccc2s1
InChIInChI=1S/C17H25NOS2/c1-2-9-18-14(7-3-5-13-6-4-10-19-13)16-12-17-15(21-16)8-11-20-17/h8,11-14,18H,2-7,9-10H2,1H3
InChIKeyCKCVNBQGVRLQSH-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993148
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005
1-(4-bromo-2-methylphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993197
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993589
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65164814
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The IUPAC name of 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (CID 104993082) is 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The canonical SMILES for 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is CCCNC(CCCC1CCCO1)c1cc2sccc2s1.
What is the InChIKey of 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The InChIKey is CKCVNBQGVRLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS2/c1-2-9-18-14(7-3-5-13-6-4-10-19-13)16-12-17-15(21-16)8-11-20-17/h8,11-14,18H,2-7,9-10H2,1H3.
What are the key properties of 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine has a molecular weight of 323.53 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is sourced from PubChem (CID 104993082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).