2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide

C12H25NO2S — CID 66106056

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)SCC(C)CO
InChIInChI=1S/C12H25NO2S/c1-9(2)5-6-13-12(15)11(4)16-8-10(3)7-14/h9-11,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyZCVADZOGLBIYGQ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.90
Rot. Bonds8

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide (PubChem CID 66106056) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide
PubChem CID66106056
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)SCC(C)CO
InChIInChI=1S/C12H25NO2S/c1-9(2)5-6-13-12(15)11(4)16-8-10(3)7-14/h9-11,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyZCVADZOGLBIYGQ-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide (CID 66106056) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)SCC(C)CO.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide?
The InChIKey is ZCVADZOGLBIYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-9(2)5-6-13-12(15)11(4)16-8-10(3)7-14/h9-11,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide has a molecular weight of 247.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 66106056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).