2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol

C12H20N2OS — CID 64807025

IUPAC2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
SMILESCNC(C)(CO)CCCSc1ccccn1
InChIInChI=1S/C12H20N2OS/c1-12(10-15,13-2)7-5-9-16-11-6-3-4-8-14-11/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3
InChIKeyNANDHVUYYGLTKK-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol

2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol (PubChem CID 64807025) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
PubChem CID64807025
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
SMILESCNC(C)(CO)CCCSc1ccccn1
InChIInChI=1S/C12H20N2OS/c1-12(10-15,13-2)7-5-9-16-11-6-3-4-8-14-11/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3
InChIKeyNANDHVUYYGLTKK-UHFFFAOYSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.92
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

5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
CID 64821990
2,2-dimethyl-5-pyridin-2-ylsulfanylpentanoic acid
CID 65259922
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
CID 64807637
2-methyl-2-(methylamino)-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604816
2-methyl-2-(methylamino)-6-[methyl(2-pyridin-2-ylethyl)amino]hexan-1-ol
CID 64796903
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475
2-methyl-2-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentan-1-ol
CID 64808604
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
1-methyl-3-(3-pyridin-2-ylsulfanylpropyl)thiourea;hydrochloride
CID 21432758
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol (CID 64807025) is 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol is CNC(C)(CO)CCCSc1ccccn1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol?
The InChIKey is NANDHVUYYGLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(10-15,13-2)7-5-9-16-11-6-3-4-8-14-11/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol?
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 64807025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).