(2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide

C10H21NO2S — CID 163617470

IUPAC(2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide
SMILESCCC[C@@H](SC)C(=O)NCC(C)(C)O
InChIInChI=1S/C10H21NO2S/c1-5-6-8(14-4)9(12)11-7-10(2,3)13/h8,13H,5-7H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKeyHLEQVRVUIUYNSL-MRVPVSSYSA-N
MW219.35 g/mol
LogP1.41
Rot. Bonds6

About (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide

(2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide (PubChem CID 163617470) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide
PubChem CID163617470
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide
SMILESCCC[C@@H](SC)C(=O)NCC(C)(C)O
InChIInChI=1S/C10H21NO2S/c1-5-6-8(14-4)9(12)11-7-10(2,3)13/h8,13H,5-7H2,1-4H3,(H,11,12)/t8-/m1/s1
InChIKeyHLEQVRVUIUYNSL-MRVPVSSYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide?
The IUPAC name of (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide (CID 163617470) is (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide.
What is the SMILES notation for (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide?
The canonical SMILES for (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide is CCC[C@@H](SC)C(=O)NCC(C)(C)O.
What is the InChIKey of (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide?
The InChIKey is HLEQVRVUIUYNSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-6-8(14-4)9(12)11-7-10(2,3)13/h8,13H,5-7H2,1-4H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide?
(2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide has a molecular weight of 219.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxy-2-methylpropyl)-2-methylsulfanylpentanamide is sourced from PubChem (CID 163617470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).