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

C12H20N2OS — CID 112663577

IUPAC[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol
SMILESCCC(CSC)N(C)c1ccnc(CO)c1
InChIInChI=1S/C12H20N2OS/c1-4-11(9-16-3)14(2)12-5-6-13-10(7-12)8-15/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyXFBWINFHFXSUGC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.15
Rot. Bonds6

About [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol

[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol (PubChem CID 112663577) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol
PubChem CID112663577
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol
SMILESCCC(CSC)N(C)c1ccnc(CO)c1
InChIInChI=1S/C12H20N2OS/c1-4-11(9-16-3)14(2)12-5-6-13-10(7-12)8-15/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyXFBWINFHFXSUGC-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

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112657230
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,4-diamine
CID 113368019
[2-methyl-4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]methanol
CID 112661769
[4-[cyclopentyl(methyl)amino]-2-pyridinyl]methanol
CID 61255816
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]methanol
CID 112663571
[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol
CID 61255198
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-pyridinyl]ethanol
CID 103955147
1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112661743
2-(aminomethyl)-N-butan-2-yl-N-methylpyridin-4-amine
CID 62300854
1-[4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanol
CID 112661746
[4-[(1-ethylpiperidin-4-yl)-methylamino]-2-pyridinyl]methanol
CID 55003019
[4-[methyl-(4-methylcyclohexyl)amino]-2-pyridinyl]methanol
CID 61437354

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol?
The IUPAC name of [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol (CID 112663577) is [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol is CCC(CSC)N(C)c1ccnc(CO)c1.
What is the InChIKey of [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol?
The InChIKey is XFBWINFHFXSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-11(9-16-3)14(2)12-5-6-13-10(7-12)8-15/h5-7,11,15H,4,8-9H2,1-3H3.
What are the key properties of [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol?
[4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-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 [4-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 112663577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).