3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol

C15H21NOS — CID 106129491

IUPAC3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC2Cc3ccccc3S2)C1
InChIInChI=1S/C15H21NOS/c17-13-6-5-11(7-13)9-16-10-14-8-12-3-1-2-4-15(12)18-14/h1-4,11,13-14,16-17H,5-10H2
InChIKeyGYKZYPQRBIAPIR-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.45
Rot. Bonds4

About 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol

3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 106129491) 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-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID106129491
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC2Cc3ccccc3S2)C1
InChIInChI=1S/C15H21NOS/c17-13-6-5-11(7-13)9-16-10-14-8-12-3-1-2-4-15(12)18-14/h1-4,11,13-14,16-17H,5-10H2
InChIKeyGYKZYPQRBIAPIR-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol (CID 106129491) is 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCC2Cc3ccccc3S2)C1.
What is the InChIKey of 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is GYKZYPQRBIAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-13-6-5-11(7-13)9-16-10-14-8-12-3-1-2-4-15(12)18-14/h1-4,11,13-14,16-17H,5-10H2.
What are the key properties of 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol?
3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 263.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1-benzothiophen-2-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).