2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol

C12H20N2OS — CID 104755765

IUPAC2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(C)nc1
InChIInChI=1S/C12H20N2OS/c1-10-4-5-11(7-14-10)6-13-8-12(2,15)9-16-3/h4-5,7,13,15H,6,8-9H2,1-3H3
InChIKeyXNTHUJPLQUYBQS-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.59
Rot. Bonds6

About 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol

2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol (PubChem CID 104755765) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
PubChem CID104755765
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(C)nc1
InChIInChI=1S/C12H20N2OS/c1-10-4-5-11(7-14-10)6-13-8-12(2,15)9-16-3/h4-5,7,13,15H,6,8-9H2,1-3H3
InChIKeyXNTHUJPLQUYBQS-UHFFFAOYSA-N
XLogP1.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 104756449
2-methyl-1-[(5-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 106247335
2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 134406499
2-methyl-1-methylsulfanyl-3-[(4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 103682969
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059
2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111437042
1-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437022
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
2,2-dimethyl-4-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 65247657
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
CID 103731198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol (CID 104755765) is 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCc1ccc(C)nc1.
What is the InChIKey of 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol?
The InChIKey is XNTHUJPLQUYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-4-5-11(7-14-10)6-13-8-12(2,15)9-16-3/h4-5,7,13,15H,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol?
2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 104755765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).