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

C9H14N2OS — CID 60884000

IUPAC1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(N)cn1
InChIInChI=1S/C9H14N2OS/c1-9(2,12)6-13-8-4-3-7(10)5-11-8/h3-5,12H,6,10H2,1-2H3
InChIKeyGUGLUJVSYFGTAQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.53
Rot. Bonds3

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

1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol (PubChem CID 60884000) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
PubChem CID60884000
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(N)cn1
InChIInChI=1S/C9H14N2OS/c1-9(2,12)6-13-8-4-3-7(10)5-11-8/h3-5,12H,6,10H2,1-2H3
InChIKeyGUGLUJVSYFGTAQ-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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Related Compounds

3-[(5-amino-2-pyridinyl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79630811
6-(2-aminopropylsulfanyl)pyridin-3-amine
CID 102689492
6-[2-(diethylamino)ethylsulfanyl]pyridin-3-amine
CID 43301503
1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
CID 60885424
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256
6-methylsulfanylpyridin-3-amine
CID 10261179
6-hydroxysulfanylpyridin-3-amine
CID 142417119
6-octylsulfanylpyridin-3-amine
CID 43301414
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 60962124
1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
CID 63931140

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol (CID 60884000) is 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol is CC(C)(O)CSc1ccc(N)cn1.
What is the InChIKey of 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol?
The InChIKey is GUGLUJVSYFGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,12)6-13-8-4-3-7(10)5-11-8/h3-5,12H,6,10H2,1-2H3.
What are the key properties of 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol?
1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-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 1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol is sourced from PubChem (CID 60884000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).