N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide

C15H21NO2S — CID 114630906

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H21NO2S/c1-15(2)12(8-13(15)17)16-14(18)11-6-4-10(5-7-11)9-19-3/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyHZMGDZFXNUJXHE-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.44
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 114630906) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID114630906
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H21NO2S/c1-15(2)12(8-13(15)17)16-14(18)11-6-4-10(5-7-11)9-19-3/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyHZMGDZFXNUJXHE-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 114631067
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972221
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
CID 114630677
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide (CID 114630906) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NC2CC(O)C2(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is HZMGDZFXNUJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(2)12(8-13(15)17)16-14(18)11-6-4-10(5-7-11)9-19-3/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 279.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 114630906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).