2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

C12H25NO3S — CID 103712613

IUPAC2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CSC(C)(C)C
InChIInChI=1S/C12H25NO3S/c1-11(2,3)17-8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyWGNSFORQYGOYPI-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.42
Rot. Bonds7

About 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (PubChem CID 103712613) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
PubChem CID103712613
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)CSC(C)(C)C
InChIInChI=1S/C12H25NO3S/c1-11(2,3)17-8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14)
InChIKeyWGNSFORQYGOYPI-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(2-hydroxy-4-methoxy-2-methylbutyl)but-3-ynamide
CID 106249974
2-(4-bromophenyl)sulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712702
N-(2-hydroxy-4-methoxy-2-methylbutyl)pent-4-enamide
CID 103712530
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
2-(1-aminocyclopentyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 114164661
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-phenylsulfanylbutanamide
CID 103712176
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 66179365
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (CID 103712613) is 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is COCCC(C)(O)CNC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The InChIKey is WGNSFORQYGOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2,3)17-8-10(14)13-9-12(4,15)6-7-16-5/h15H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide has a molecular weight of 263.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is sourced from PubChem (CID 103712613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).