2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C9H14N2OS — CID 130649322

IUPAC2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1cnccc1N
InChIInChI=1S/C9H14N2OS/c1-9(2,6-12)13-8-5-11-4-3-7(8)10/h3-5,12H,6H2,1-2H3,(H2,10,11)
InChIKeyMJUAPXBITDUYTG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.53
Rot. Bonds3

About 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol

2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 130649322) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID130649322
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1cnccc1N
InChIInChI=1S/C9H14N2OS/c1-9(2,6-12)13-8-5-11-4-3-7(8)10/h3-5,12H,6H2,1-2H3,(H2,10,11)
InChIKeyMJUAPXBITDUYTG-UHFFFAOYSA-N
XLogP1.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 130649322) is 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol is CC(C)(CO)Sc1cnccc1N.
What is the InChIKey of 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is MJUAPXBITDUYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,6-12)13-8-5-11-4-3-7(8)10/h3-5,12H,6H2,1-2H3,(H2,10,11).
What are the key properties of 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 130649322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).