3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol

C11H18N2OS — CID 66114950

IUPAC3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol
SMILESCC(N)C(SCCCO)c1cccnc1
InChIInChI=1S/C11H18N2OS/c1-9(12)11(15-7-3-6-14)10-4-2-5-13-8-10/h2,4-5,8-9,11,14H,3,6-7,12H2,1H3
InChIKeyJEABTYSHMZHPMK-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol

3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol (PubChem CID 66114950) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol
PubChem CID66114950
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol
SMILESCC(N)C(SCCCO)c1cccnc1
InChIInChI=1S/C11H18N2OS/c1-9(12)11(15-7-3-6-14)10-4-2-5-13-8-10/h2,4-5,8-9,11,14H,3,6-7,12H2,1H3
InChIKeyJEABTYSHMZHPMK-UHFFFAOYSA-N
XLogP1.59
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
CID 107748954
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
3-pyridin-3-ylbutan-1-ol
CID 23506282
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
CID 63238084
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol?
The IUPAC name of 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol (CID 66114950) is 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol is CC(N)C(SCCCO)c1cccnc1.
What is the InChIKey of 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol?
The InChIKey is JEABTYSHMZHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(12)11(15-7-3-6-14)10-4-2-5-13-8-10/h2,4-5,8-9,11,14H,3,6-7,12H2,1H3.
What are the key properties of 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol?
3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol is sourced from PubChem (CID 66114950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).