[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine

C15H21NOS — CID 103718556

IUPAC[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CC2Cc3ccccc3S2)CCCOC1
InChIInChI=1S/C15H21NOS/c16-10-15(6-3-7-17-11-15)9-13-8-12-4-1-2-5-14(12)18-13/h1-2,4-5,13H,3,6-11,16H2
InChIKeyWYHFXBLYISLPRZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.85
Rot. Bonds3

About [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine

[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine (PubChem CID 103718556) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
PubChem CID103718556
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CC2Cc3ccccc3S2)CCCOC1
InChIInChI=1S/C15H21NOS/c16-10-15(6-3-7-17-11-15)9-13-8-12-4-1-2-5-14(12)18-13/h1-2,4-5,13H,3,6-11,16H2
InChIKeyWYHFXBLYISLPRZ-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine (CID 103718556) is [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine is NCC1(CC2Cc3ccccc3S2)CCCOC1.
What is the InChIKey of [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine?
The InChIKey is WYHFXBLYISLPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-10-15(6-3-7-17-11-15)9-13-8-12-4-1-2-5-14(12)18-13/h1-2,4-5,13H,3,6-11,16H2.
What are the key properties of [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine?
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 103718556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).