3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol

C12H20N2O2S — CID 79671550

IUPAC3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol
SMILESCCCNc1ncccc1CSCC(O)CO
InChIInChI=1S/C12H20N2O2S/c1-2-5-13-12-10(4-3-6-14-12)8-17-9-11(16)7-15/h3-4,6,11,15-16H,2,5,7-9H2,1H3,(H,13,14)
InChIKeyOYDIDJSGSVUYKM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.49
Rot. Bonds8

About 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol

3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol (PubChem CID 79671550) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol
PubChem CID79671550
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol
SMILESCCCNc1ncccc1CSCC(O)CO
InChIInChI=1S/C12H20N2O2S/c1-2-5-13-12-10(4-3-6-14-12)8-17-9-11(16)7-15/h3-4,6,11,15-16H,2,5,7-9H2,1H3,(H,13,14)
InChIKeyOYDIDJSGSVUYKM-UHFFFAOYSA-N
XLogP1.49
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol 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

N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
CID 114231922
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
3-(pyridin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682125
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764
3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468384
3-[[6-(propylamino)-2-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671978
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62467130
2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol (CID 79671550) is 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol is CCCNc1ncccc1CSCC(O)CO.
What is the InChIKey of 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol?
The InChIKey is OYDIDJSGSVUYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-5-13-12-10(4-3-6-14-12)8-17-9-11(16)7-15/h3-4,6,11,15-16H,2,5,7-9H2,1H3,(H,13,14).
What are the key properties of 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol?
3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol has a molecular weight of 256.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 79671550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).