N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide

C10H21NO2S — CID 71787168

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
SMILESCSCC(C)(O)CNC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2,3)8(12)11-6-10(4,13)7-14-5/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyRSMRANOYTCZOLI-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.26
Rot. Bonds4

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide (PubChem CID 71787168) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
PubChem CID71787168
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
SMILESCSCC(C)(O)CNC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2,3)8(12)11-6-10(4,13)7-14-5/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyRSMRANOYTCZOLI-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide (CID 71787168) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide is CSCC(C)(O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
The InChIKey is RSMRANOYTCZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2,3)8(12)11-6-10(4,13)7-14-5/h13H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide has a molecular weight of 219.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 71787168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).