1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol

C10H16N2OS — CID 103090078

IUPAC1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)c1cnccc1N
InChIInChI=1S/C10H16N2OS/c1-14-6-2-3-10(13)8-7-12-5-4-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3,(H2,11,12)
InChIKeyGCYPQOMBYAKZGO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.84
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol

1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol (PubChem CID 103090078) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
PubChem CID103090078
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)c1cnccc1N
InChIInChI=1S/C10H16N2OS/c1-14-6-2-3-10(13)8-7-12-5-4-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3,(H2,11,12)
InChIKeyGCYPQOMBYAKZGO-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
1-(4-amino-3-pyridinyl)-2-phenylethanol
CID 54064798
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
CID 103449093
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 107443196
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
1-(2-chlorophenyl)-4-methylsulfanylbutan-1-ol
CID 103090055
3-amino-3-(4-amino-3-pyridinyl)propanamide
CID 55255993
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
CID 106848437

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol (CID 103090078) is 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol is CSCCCC(O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol?
The InChIKey is GCYPQOMBYAKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-14-6-2-3-10(13)8-7-12-5-4-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3,(H2,11,12).
What are the key properties of 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol?
1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103090078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).