4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide

C11H24N2O2S — CID 107771849

IUPAC4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)SC(C)C(C)O)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-7(16-9(3)8(2)14)6-11(4,13-5)10(12)15/h7-9,13-14H,6H2,1-5H3,(H2,12,15)
InChIKeyKPJNGMBHVFIIQF-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds7

About 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide

4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide (PubChem CID 107771849) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
PubChem CID107771849
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)SC(C)C(C)O)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-7(16-9(3)8(2)14)6-11(4,13-5)10(12)15/h7-9,13-14H,6H2,1-5H3,(H2,12,15)
InChIKeyKPJNGMBHVFIIQF-UHFFFAOYSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107771716
4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
CID 66105409
4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710846
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 64704415
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710913
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063
4-(2-methoxyethoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707377
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
2-methyl-2-(methylamino)-4-oxobutanamide
CID 175751505

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide (CID 107771849) is 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide is CNC(C)(CC(C)SC(C)C(C)O)C(N)=O.
What is the InChIKey of 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide?
The InChIKey is KPJNGMBHVFIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-7(16-9(3)8(2)14)6-11(4,13-5)10(12)15/h7-9,13-14H,6H2,1-5H3,(H2,12,15).
What are the key properties of 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide?
4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 107771849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).