1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol

C14H19NOS — CID 107682497

IUPAC1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NCC1CCCS1
InChIInChI=1S/C14H19NOS/c16-11-4-5-13-10(8-11)3-6-14(13)15-9-12-2-1-7-17-12/h4-5,8,12,14-16H,1-3,6-7,9H2
InChIKeyQOAPYTYQDVVMFW-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.86
Rot. Bonds3

About 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol

1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682497) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682497
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NCC1CCCS1
InChIInChI=1S/C14H19NOS/c16-11-4-5-13-10(8-11)3-6-14(13)15-9-12-2-1-7-17-12/h4-5,8,12,14-16H,1-3,6-7,9H2
InChIKeyQOAPYTYQDVVMFW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682497) is 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2NCC1CCCS1.
What is the InChIKey of 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QOAPYTYQDVVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-11-4-5-13-10(8-11)3-6-14(13)15-9-12-2-1-7-17-12/h4-5,8,12,14-16H,1-3,6-7,9H2.
What are the key properties of 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 249.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).