4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide

C10H22N2O2S — CID 66138872

IUPAC4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCSC(C)CCO)C(N)=O
InChIInChI=1S/C10H22N2O2S/c1-8(4-6-13)15-7-5-10(2,12-3)9(11)14/h8,12-13H,4-7H2,1-3H3,(H2,11,14)
InChIKeyQKKARBVYFXSVFN-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.34
Rot. Bonds8

About 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide

4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide (PubChem CID 66138872) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
PubChem CID66138872
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCSC(C)CCO)C(N)=O
InChIInChI=1S/C10H22N2O2S/c1-8(4-6-13)15-7-5-10(2,12-3)9(11)14/h8,12-13H,4-7H2,1-3H3,(H2,11,14)
InChIKeyQKKARBVYFXSVFN-UHFFFAOYSA-N
XLogP0.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide?
The IUPAC name of 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide (CID 66138872) is 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide?
The canonical SMILES for 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide is CNC(C)(CCSC(C)CCO)C(N)=O.
What is the InChIKey of 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide?
The InChIKey is QKKARBVYFXSVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(4-6-13)15-7-5-10(2,12-3)9(11)14/h8,12-13H,4-7H2,1-3H3,(H2,11,14).
What are the key properties of 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide?
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide has a molecular weight of 234.36 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 66138872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).