3-amino-2-pyridin-2-ylsulfanylpentan-1-ol

C10H16N2OS — CID 104842239

IUPAC3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
SMILESCCC(N)C(CO)Sc1ccccn1
InChIInChI=1S/C10H16N2OS/c1-2-8(11)9(7-13)14-10-5-3-4-6-12-10/h3-6,8-9,13H,2,7,11H2,1H3
InChIKeyVVMXNMHIYLGPDZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.27
Rot. Bonds5

About 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol

3-amino-2-pyridin-2-ylsulfanylpentan-1-ol (PubChem CID 104842239) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
PubChem CID104842239
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
SMILESCCC(N)C(CO)Sc1ccccn1
InChIInChI=1S/C10H16N2OS/c1-2-8(11)9(7-13)14-10-5-3-4-6-12-10/h3-6,8-9,13H,2,7,11H2,1H3
InChIKeyVVMXNMHIYLGPDZ-UHFFFAOYSA-N
XLogP1.27
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol?
The IUPAC name of 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol (CID 104842239) is 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol is CCC(N)C(CO)Sc1ccccn1.
What is the InChIKey of 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol?
The InChIKey is VVMXNMHIYLGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-8(11)9(7-13)14-10-5-3-4-6-12-10/h3-6,8-9,13H,2,7,11H2,1H3.
What are the key properties of 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol?
3-amino-2-pyridin-2-ylsulfanylpentan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-pyridin-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 104842239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).