2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol

C11H19NOS — CID 131093289

IUPAC2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CC2CC1CS2
InChIInChI=1S/C11H19NOS/c13-11-4-2-1-3-10(11)12-6-9-5-8(12)7-14-9/h8-11,13H,1-7H2
InChIKeyHOMXKVQCMXCFBE-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.48
Rot. Bonds1

About 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol

2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol (PubChem CID 131093289) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol
PubChem CID131093289
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CC2CC1CS2
InChIInChI=1S/C11H19NOS/c13-11-4-2-1-3-10(11)12-6-9-5-8(12)7-14-9/h8-11,13H,1-7H2
InChIKeyHOMXKVQCMXCFBE-UHFFFAOYSA-N
XLogP1.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol (CID 131093289) is 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol is OC1CCCCC1N1CC2CC1CS2.
What is the InChIKey of 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol?
The InChIKey is HOMXKVQCMXCFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c13-11-4-2-1-3-10(11)12-6-9-5-8(12)7-14-9/h8-11,13H,1-7H2.
What are the key properties of 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol?
2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 131093289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).