2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol

C11H16N2OS — CID 60883980

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol
SMILESNc1cccnc1SC1CCCCC1O
InChIInChI=1S/C11H16N2OS/c12-8-4-3-7-13-11(8)15-10-6-2-1-5-9(10)14/h3-4,7,9-10,14H,1-2,5-6,12H2
InChIKeyXRBKETNBUPJUQK-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.06
Rot. Bonds2

About 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol

2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol (PubChem CID 60883980) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol
PubChem CID60883980
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol
SMILESNc1cccnc1SC1CCCCC1O
InChIInChI=1S/C11H16N2OS/c12-8-4-3-7-13-11(8)15-10-6-2-1-5-9(10)14/h3-4,7,9-10,14H,1-2,5-6,12H2
InChIKeyXRBKETNBUPJUQK-UHFFFAOYSA-N
XLogP2.06
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol (CID 60883980) is 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol is Nc1cccnc1SC1CCCCC1O.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
The InChIKey is XRBKETNBUPJUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-8-4-3-7-13-11(8)15-10-6-2-1-5-9(10)14/h3-4,7,9-10,14H,1-2,5-6,12H2.
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol?
2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol has a molecular weight of 224.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 60883980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).