3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol

C10H16N2OS — CID 107771933

IUPAC3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCc1cccc(N)n1
InChIInChI=1S/C10H16N2OS/c1-7(13)8(2)14-6-9-4-3-5-10(11)12-9/h3-5,7-8,13H,6H2,1-2H3,(H2,11,12)
InChIKeyBEASERSCDKLMIR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.67
Rot. Bonds4

About 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol

3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol (PubChem CID 107771933) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol
PubChem CID107771933
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol
SMILESCC(O)C(C)SCc1cccc(N)n1
InChIInChI=1S/C10H16N2OS/c1-7(13)8(2)14-6-9-4-3-5-10(11)12-9/h3-5,7-8,13H,6H2,1-2H3,(H2,11,12)
InChIKeyBEASERSCDKLMIR-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-hydroxybutan-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 107770120
3-[(6-amino-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79670595
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
6-(2-methoxyethylsulfanylmethyl)pyridin-2-amine
CID 79239647
(1S,2R)-1-amino-1-(6-amino-2-pyridinyl)propan-2-ol
CID 130815832
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
6-[(3,4-dimethylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239222
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
3-[(6-methyl-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 79035532
6-(1-phenylethoxymethyl)pyridin-2-amine
CID 79239105

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol (CID 107771933) is 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol is CC(O)C(C)SCc1cccc(N)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol?
The InChIKey is BEASERSCDKLMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(13)8(2)14-6-9-4-3-5-10(11)12-9/h3-5,7-8,13H,6H2,1-2H3,(H2,11,12).
What are the key properties of 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol?
3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol has a molecular weight of 212.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methylsulfanyl]butan-2-ol is sourced from PubChem (CID 107771933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).