2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine

C14H17NOS2 — CID 82726555

IUPAC2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C14H17NOS2/c1-10-13(4-5-16-10)15-8-12-7-11(9-18-12)14-3-2-6-17-14/h2-3,6-7,9-10,13,15H,4-5,8H2,1H3
InChIKeyCLEWFADJTVQDAB-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.74
Rot. Bonds4

About 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine

2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine (PubChem CID 82726555) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
PubChem CID82726555
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCC1OCCC1NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C14H17NOS2/c1-10-13(4-5-16-10)15-8-12-7-11(9-18-12)14-3-2-6-17-14/h2-3,6-7,9-10,13,15H,4-5,8H2,1H3
InChIKeyCLEWFADJTVQDAB-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine (CID 82726555) is 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine is CC1OCCC1NCc1cc(-c2cccs2)cs1.
What is the InChIKey of 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine?
The InChIKey is CLEWFADJTVQDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-10-13(4-5-16-10)15-8-12-7-11(9-18-12)14-3-2-6-17-14/h2-3,6-7,9-10,13,15H,4-5,8H2,1H3.
What are the key properties of 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine?
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine has a molecular weight of 279.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 82726555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).