N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide

C10H22N2O2S — CID 106161614

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-7(8(6-13)15-5)12-9(14)10(2,3)11-4/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyQOADXSIKDXWHAL-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.21
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide (PubChem CID 106161614) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
PubChem CID106161614
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H22N2O2S/c1-7(8(6-13)15-5)12-9(14)10(2,3)11-4/h7-8,11,13H,6H2,1-5H3,(H,12,14)
InChIKeyQOADXSIKDXWHAL-UHFFFAOYSA-N
XLogP0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide (CID 106161614) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is QOADXSIKDXWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-7(8(6-13)15-5)12-9(14)10(2,3)11-4/h7-8,11,13H,6H2,1-5H3,(H,12,14).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 234.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 106161614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).