2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol

C11H18N2OS — CID 111437059

IUPAC2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCSCC(C)(O)CNCc1ccccn1
InChIInChI=1S/C11H18N2OS/c1-11(14,9-15-2)8-12-7-10-5-3-4-6-13-10/h3-6,12,14H,7-9H2,1-2H3
InChIKeyGUHFTYHTIRUJON-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.29
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 111437059) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID111437059
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCSCC(C)(O)CNCc1ccccn1
InChIInChI=1S/C11H18N2OS/c1-11(14,9-15-2)8-12-7-10-5-3-4-6-13-10/h3-6,12,14H,7-9H2,1-2H3
InChIKeyGUHFTYHTIRUJON-UHFFFAOYSA-N
XLogP1.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol
CID 62059227
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
1-(ethylamino)-2-methyl-3-pyridin-2-ylpropan-2-ol
CID 66039373
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
2-methyl-1-methylsulfanyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111437048
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103784825
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 66336556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 111437059) is 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol is CSCC(C)(O)CNCc1ccccn1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is GUHFTYHTIRUJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(14,9-15-2)8-12-7-10-5-3-4-6-13-10/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 111437059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).