[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol

C14H23NOS — CID 61056403

IUPAC[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
SMILESOCC1(NCc2cccs2)CCCCCCC1
InChIInChI=1S/C14H23NOS/c16-12-14(8-4-2-1-3-5-9-14)15-11-13-7-6-10-17-13/h6-7,10,15-16H,1-5,8-9,11-12H2
InChIKeyURDNUFFYQZJGCK-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.31
Rot. Bonds4

About [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol

[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol (PubChem CID 61056403) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol.

Molecular Properties

Compound Name[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
PubChem CID61056403
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
SMILESOCC1(NCc2cccs2)CCCCCCC1
InChIInChI=1S/C14H23NOS/c16-12-14(8-4-2-1-3-5-9-14)15-11-13-7-6-10-17-13/h6-7,10,15-16H,1-5,8-9,11-12H2
InChIKeyURDNUFFYQZJGCK-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol?
The IUPAC name of [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol (CID 61056403) is [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol.
What is the SMILES notation for [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol?
The canonical SMILES for [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol is OCC1(NCc2cccs2)CCCCCCC1.
What is the InChIKey of [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol?
The InChIKey is URDNUFFYQZJGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c16-12-14(8-4-2-1-3-5-9-14)15-11-13-7-6-10-17-13/h6-7,10,15-16H,1-5,8-9,11-12H2.
What are the key properties of [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol?
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol has a molecular weight of 253.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiophen-2-ylmethylamino)cyclooctyl]methanol is sourced from PubChem (CID 61056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).