2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine

C15H23NOS — CID 82726466

IUPAC2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1C)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H23NOS/c1-10(16-13-7-8-17-11(13)2)15-9-12-5-3-4-6-14(12)18-15/h9-11,13,16H,3-8H2,1-2H3
InChIKeyWMBRYNRYLFGCRK-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine

2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine (PubChem CID 82726466) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine
PubChem CID82726466
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1C)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H23NOS/c1-10(16-13-7-8-17-11(13)2)15-9-12-5-3-4-6-14(12)18-15/h9-11,13,16H,3-8H2,1-2H3
InChIKeyWMBRYNRYLFGCRK-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine (CID 82726466) is 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine is CC(NC1CCOC1C)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine?
The InChIKey is WMBRYNRYLFGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10(16-13-7-8-17-11(13)2)15-9-12-5-3-4-6-14(12)18-15/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine?
2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 82726466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).