1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol

C11H16N2OS — CID 65213184

IUPAC1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
SMILESNc1ccc(SCC2(O)CCCC2)nc1
InChIInChI=1S/C11H16N2OS/c12-9-3-4-10(13-7-9)15-8-11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6,8,12H2
InChIKeyQYNVMKIZRXYDBU-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.06
Rot. Bonds3

About 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol

1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol (PubChem CID 65213184) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
PubChem CID65213184
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol
SMILESNc1ccc(SCC2(O)CCCC2)nc1
InChIInChI=1S/C11H16N2OS/c12-9-3-4-10(13-7-9)15-8-11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6,8,12H2
InChIKeyQYNVMKIZRXYDBU-UHFFFAOYSA-N
XLogP2.06
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol (CID 65213184) is 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol is Nc1ccc(SCC2(O)CCCC2)nc1.
What is the InChIKey of 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
The InChIKey is QYNVMKIZRXYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-9-3-4-10(13-7-9)15-8-11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6,8,12H2.
What are the key properties of 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol?
1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol has a molecular weight of 224.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-pyridinyl)sulfanylmethyl]cyclopentan-1-ol is sourced from PubChem (CID 65213184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).