1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine

C14H17NOS2 — CID 43433656

IUPAC1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
SMILESc1csc(-c2csc(CNCC3CCCO3)c2)c1
InChIInChI=1S/C14H17NOS2/c1-3-12(16-5-1)8-15-9-13-7-11(10-18-13)14-4-2-6-17-14/h2,4,6-7,10,12,15H,1,3,5,8-9H2
InChIKeyFHFDTZAVKKKOQM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.75
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine

1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine (PubChem CID 43433656) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
PubChem CID43433656
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
SMILESc1csc(-c2csc(CNCC3CCCO3)c2)c1
InChIInChI=1S/C14H17NOS2/c1-3-12(16-5-1)8-15-9-13-7-11(10-18-13)14-4-2-6-17-14/h2,4,6-7,10,12,15H,1,3,5,8-9H2
InChIKeyFHFDTZAVKKKOQM-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine (CID 43433656) is 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine is c1csc(-c2csc(CNCC3CCCO3)c2)c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
The InChIKey is FHFDTZAVKKKOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-3-12(16-5-1)8-15-9-13-7-11(10-18-13)14-4-2-6-17-14/h2,4,6-7,10,12,15H,1,3,5,8-9H2.
What are the key properties of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine?
1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 43433656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).