N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide

C8H17NO2S — CID 65109966

IUPACN-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(C)(C)O
InChIInChI=1S/C8H17NO2S/c1-8(2,11)6-9-7(10)4-5-12-3/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyNWGXRPFZEQKZCR-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide

N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide (PubChem CID 65109966) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
PubChem CID65109966
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(C)(C)O
InChIInChI=1S/C8H17NO2S/c1-8(2,11)6-9-7(10)4-5-12-3/h11H,4-6H2,1-3H3,(H,9,10)
InChIKeyNWGXRPFZEQKZCR-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-3-(methylthio)propyl)cyclopropanecarboxamide
CID 71787166
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)pivalamide
CID 71787168
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-3,3-dimethylbutanamide
CID 71787170
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)cyclopropanecarboxamide
CID 71787256
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)pivalamide
CID 71787258
N-(2-hydroxy-2-methyl-4-(methylthio)butyl)-3,3-dimethylbutanamide
CID 71787262
2-ethyl-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)butanamide
CID 72006713
4,4,4-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
CID 103707611
2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103733927
2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 106244449
3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(trifluoromethyl)propanamide
CID 106741503
2,2-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 107168057

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide (CID 65109966) is N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
The InChIKey is NWGXRPFZEQKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,11)6-9-7(10)4-5-12-3/h11H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide?
N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide has a molecular weight of 191.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 65109966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).