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

C15H23NOS — CID 114105285

IUPACN-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCC1OCCC1CNC1CCCc2sccc21
InChIInChI=1S/C15H23NOS/c1-2-14-11(6-8-17-14)10-16-13-4-3-5-15-12(13)7-9-18-15/h7,9,11,13-14,16H,2-6,8,10H2,1H3
InChIKeyQHMFAELZJVZCSA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.53
Rot. Bonds4

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

N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 114105285) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID114105285
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCC1OCCC1CNC1CCCc2sccc21
InChIInChI=1S/C15H23NOS/c1-2-14-11(6-8-17-14)10-16-13-4-3-5-15-12(13)7-9-18-15/h7,9,11,13-14,16H,2-6,8,10H2,1H3
InChIKeyQHMFAELZJVZCSA-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 114105285) is N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCC1OCCC1CNC1CCCc2sccc21.
What is the InChIKey of N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is QHMFAELZJVZCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-14-11(6-8-17-14)10-16-13-4-3-5-15-12(13)7-9-18-15/h7,9,11,13-14,16H,2-6,8,10H2,1H3.
What are the key properties of N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 265.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 114105285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).