6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol

C10H16N2OS — CID 79794102

IUPAC6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
SMILESCSCCCNCc1ccc(O)cn1
InChIInChI=1S/C10H16N2OS/c1-14-6-2-5-11-7-9-3-4-10(13)8-12-9/h3-4,8,11,13H,2,5-7H2,1H3
InChIKeyNYZJCPWWWWOLPU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.63
Rot. Bonds6

About 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol

6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol (PubChem CID 79794102) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
PubChem CID79794102
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
SMILESCSCCCNCc1ccc(O)cn1
InChIInChI=1S/C10H16N2OS/c1-14-6-2-5-11-7-9-3-4-10(13)8-12-9/h3-4,8,11,13H,2,5-7H2,1H3
InChIKeyNYZJCPWWWWOLPU-UHFFFAOYSA-N
XLogP1.63
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.63
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

6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79793918
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 63983825
N-[(5-methylpyrazin-2-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 103778202
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79783660
6-[(2-cyclopropylethylamino)methyl]pyridin-3-ol
CID 79794912
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 60961143
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113373335
6-[(2-phenoxyethylamino)methyl]pyridin-3-ol
CID 79783259
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
3-[2-[(5-hydroxy-2-pyridinyl)methylamino]ethyl]-1-methyl-1-sulfanylurea
CID 57028120

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol (CID 79794102) is 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol is CSCCCNCc1ccc(O)cn1.
What is the InChIKey of 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol?
The InChIKey is NYZJCPWWWWOLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-14-6-2-5-11-7-9-3-4-10(13)8-12-9/h3-4,8,11,13H,2,5-7H2,1H3.
What are the key properties of 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol?
6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79794102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).