[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol

C12H20N2OS — CID 112663571

IUPAC[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCCC(CSC)N(C)c1ncccc1CO
InChIInChI=1S/C12H20N2OS/c1-4-11(9-16-3)14(2)12-10(8-15)6-5-7-13-12/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyMIWWGSODRQYNOE-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.15
Rot. Bonds6

About [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol

[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 112663571) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID112663571
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCCC(CSC)N(C)c1ncccc1CO
InChIInChI=1S/C12H20N2OS/c1-4-11(9-16-3)14(2)12-10(8-15)6-5-7-13-12/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyMIWWGSODRQYNOE-UHFFFAOYSA-N
XLogP2.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol 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

[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol
CID 112663577
[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
N'-hydroxy-4-methyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
CID 112660044
1-[methyl(1-methylsulfanylbutan-2-yl)amino]isoquinoline-4-carboxylic acid
CID 106767444
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
3-ethyl-N-methyl-N-methylsulfanylpyridin-2-amine
CID 176973503
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
3-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112657243
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-pyridinyl]ethanol
CID 103955147
6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,3-diamine
CID 112656901
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 112551364

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol (CID 112663571) is [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol is CCC(CSC)N(C)c1ncccc1CO.
What is the InChIKey of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is MIWWGSODRQYNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-11(9-16-3)14(2)12-10(8-15)6-5-7-13-12/h5-7,11,15H,4,8-9H2,1-3H3.
What are the key properties of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol?
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 112663571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).