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

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107412803
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)butanamide
CID 79214063
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]methanamine
CID 79222485
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
CID 79214054
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045670
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798

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).