2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol

C11H25NO2S — CID 106158798

IUPAC2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)C(CO)SC
InChIInChI=1S/C11H25NO2S/c1-5-11(3,8-14)7-12-9(2)10(6-13)15-4/h9-10,12-14H,5-8H2,1-4H3
InChIKeyHRNDPCIMJORTSY-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.10
Rot. Bonds8

About 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol

2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 106158798) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol
PubChem CID106158798
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)C(CO)SC
InChIInChI=1S/C11H25NO2S/c1-5-11(3,8-14)7-12-9(2)10(6-13)15-4/h9-10,12-14H,5-8H2,1-4H3
InChIKeyHRNDPCIMJORTSY-UHFFFAOYSA-N
XLogP1.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol (CID 106158798) is 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC(C)C(CO)SC.
What is the InChIKey of 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is HRNDPCIMJORTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(3,8-14)7-12-9(2)10(6-13)15-4/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol?
2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 235.39 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 106158798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).