4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide

C11H24N2O2S — CID 66105409

IUPAC4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)SCC(C)CO)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-8(6-14)7-16-9(2)5-11(3,13-4)10(12)15/h8-9,13-14H,5-7H2,1-4H3,(H2,12,15)
InChIKeyRENSOZDRQVUPQK-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.59
Rot. Bonds8

About 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide

4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide (PubChem CID 66105409) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
PubChem CID66105409
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)SCC(C)CO)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-8(6-14)7-16-9(2)5-11(3,13-4)10(12)15/h8-9,13-14H,5-7H2,1-4H3,(H2,12,15)
InChIKeyRENSOZDRQVUPQK-UHFFFAOYSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
CID 107771849
4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710846
methyl 2-(cyclopropylamino)-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpentanoate
CID 66103871
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 66138872
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
methyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64711400
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
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-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide (CID 66105409) is 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide is CNC(C)(CC(C)SCC(C)CO)C(N)=O.
What is the InChIKey of 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
The InChIKey is RENSOZDRQVUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(6-14)7-16-9(2)5-11(3,13-4)10(12)15/h8-9,13-14H,5-7H2,1-4H3,(H2,12,15).
What are the key properties of 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 66105409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).