3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C10H16N2OS — CID 66279373

IUPAC3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCc1cnc(SCC(C)CO)c(N)c1
InChIInChI=1S/C10H16N2OS/c1-7-3-9(11)10(12-4-7)14-6-8(2)5-13/h3-4,8,13H,5-6,11H2,1-2H3
InChIKeyXZFDAUZNMTWFEK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.69
Rot. Bonds4

About 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 66279373) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID66279373
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCc1cnc(SCC(C)CO)c(N)c1
InChIInChI=1S/C10H16N2OS/c1-7-3-9(11)10(12-4-7)14-6-8(2)5-13/h3-4,8,13H,5-6,11H2,1-2H3
InChIKeyXZFDAUZNMTWFEK-UHFFFAOYSA-N
XLogP1.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 66279373) is 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is Cc1cnc(SCC(C)CO)c(N)c1.
What is the InChIKey of 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is XZFDAUZNMTWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-3-9(11)10(12-4-7)14-6-8(2)5-13/h3-4,8,13H,5-6,11H2,1-2H3.
What are the key properties of 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66279373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).