2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol

C11H18N2OS — CID 103731198

IUPAC2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccc(C)cn1
InChIInChI=1S/C11H18N2OS/c1-9-4-5-10(12-6-9)13-7-11(2,14)8-15-3/h4-6,14H,7-8H2,1-3H3,(H,12,13)
InChIKeyILUCWMKCLQTRSR-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol

2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol (PubChem CID 103731198) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
PubChem CID103731198
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccc(C)cn1
InChIInChI=1S/C11H18N2OS/c1-9-4-5-10(12-6-9)13-7-11(2,14)8-15-3/h4-6,14H,7-8H2,1-3H3,(H,12,13)
InChIKeyILUCWMKCLQTRSR-UHFFFAOYSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
CID 66178619
1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243671
1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246053
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
CID 103820180
(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97020107
1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71862378
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 104755765
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75511398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol (CID 103731198) is 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1ccc(C)cn1.
What is the InChIKey of 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol?
The InChIKey is ILUCWMKCLQTRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-4-5-10(12-6-9)13-7-11(2,14)8-15-3/h4-6,14H,7-8H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol?
2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103731198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).