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

C14H19NOS — CID 81345434

IUPAC1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CSc3ccccc32)CCCC1
InChIInChI=1S/C14H19NOS/c16-14(7-3-4-8-14)10-15-12-9-17-13-6-2-1-5-11(12)13/h1-2,5-6,12,15-16H,3-4,7-10H2
InChIKeyWICYAOPQZYIGRC-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.73
Rot. Bonds3

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

1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol (PubChem CID 81345434) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
PubChem CID81345434
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CSc3ccccc32)CCCC1
InChIInChI=1S/C14H19NOS/c16-14(7-3-4-8-14)10-15-12-9-17-13-6-2-1-5-11(12)13/h1-2,5-6,12,15-16H,3-4,7-10H2
InChIKeyWICYAOPQZYIGRC-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol (CID 81345434) is 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol is OC1(CNC2CSc3ccccc32)CCCC1.
What is the InChIKey of 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is WICYAOPQZYIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(7-3-4-8-14)10-15-12-9-17-13-6-2-1-5-11(12)13/h1-2,5-6,12,15-16H,3-4,7-10H2.
What are the key properties of 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol?
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 81345434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).