2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol

C11H18N2OS — CID 66103427

IUPAC2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol
SMILESCNc1cc(CSCC(C)CO)ccn1
InChIInChI=1S/C11H18N2OS/c1-9(6-14)7-15-8-10-3-4-13-11(5-10)12-2/h3-5,9,14H,6-8H2,1-2H3,(H,12,13)
InChIKeyMAHCQDSTNDXNDB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.98
Rot. Bonds6

About 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol

2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol (PubChem CID 66103427) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol
PubChem CID66103427
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol
SMILESCNc1cc(CSCC(C)CO)ccn1
InChIInChI=1S/C11H18N2OS/c1-9(6-14)7-15-8-10-3-4-13-11(5-10)12-2/h3-5,9,14H,6-8H2,1-2H3,(H,12,13)
InChIKeyMAHCQDSTNDXNDB-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol (CID 66103427) is 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol is CNc1cc(CSCC(C)CO)ccn1.
What is the InChIKey of 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol?
The InChIKey is MAHCQDSTNDXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(6-14)7-15-8-10-3-4-13-11(5-10)12-2/h3-5,9,14H,6-8H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol?
2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66103427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).