N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide

C9H17NO2S — CID 71787166

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC1
InChIInChI=1S/C9H17NO2S/c1-9(12,6-13-2)5-10-8(11)7-3-4-7/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyUGJQQKMYIOSATL-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.63
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide (PubChem CID 71787166) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide
PubChem CID71787166
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC1
InChIInChI=1S/C9H17NO2S/c1-9(12,6-13-2)5-10-8(11)7-3-4-7/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyUGJQQKMYIOSATL-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.63
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)cyclopropanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide (CID 71787166) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide is CSCC(C)(O)CNC(=O)C1CC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide?
The InChIKey is UGJQQKMYIOSATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(12,6-13-2)5-10-8(11)7-3-4-7/h7,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide has a molecular weight of 203.31 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-methyl-3-methylsulfanylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 71787166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).