N-(3-hydroxy-4-methylphenyl)methanesulfinamide

C8H11NO2S — CID 131207586

IUPACN-(3-hydroxy-4-methylphenyl)methanesulfinamide
SMILESCc1ccc(NS(C)=O)cc1O
InChIInChI=1S/C8H11NO2S/c1-6-3-4-7(5-8(6)10)9-12(2)11/h3-5,9-10H,1-2H3
InChIKeyXSWDNRHXDBFIHH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.41
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)methanesulfinamide

N-(3-hydroxy-4-methylphenyl)methanesulfinamide (PubChem CID 131207586) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)methanesulfinamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)methanesulfinamide
PubChem CID131207586
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-(3-hydroxy-4-methylphenyl)methanesulfinamide
SMILESCc1ccc(NS(C)=O)cc1O
InChIInChI=1S/C8H11NO2S/c1-6-3-4-7(5-8(6)10)9-12(2)11/h3-5,9-10H,1-2H3
InChIKeyXSWDNRHXDBFIHH-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylphenyl)methanesulfinamide
CID 130920981
2-(3-hydroxy-4-methylanilino)propanoic acid
CID 107700440
5-(2-hydroxyethylamino)-2-methylphenol;hydrochloride
CID 172550087
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
2-(3-hydroxy-4-methylanilino)-N-(2-hydroxyphenyl)acetamide
CID 150167454
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
(E)-4-(3-hydroxy-4-methylanilino)-4-oxobut-2-enoic acid
CID 107699575
N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide
CID 22406160
2-ethyl-1-methyl-4-(sulfinoamino)benzene
CID 156579229

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)methanesulfinamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)methanesulfinamide (CID 131207586) is N-(3-hydroxy-4-methylphenyl)methanesulfinamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)methanesulfinamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)methanesulfinamide is Cc1ccc(NS(C)=O)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)methanesulfinamide?
The InChIKey is XSWDNRHXDBFIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-3-4-7(5-8(6)10)9-12(2)11/h3-5,9-10H,1-2H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)methanesulfinamide?
N-(3-hydroxy-4-methylphenyl)methanesulfinamide has a molecular weight of 185.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)methanesulfinamide is sourced from PubChem (CID 131207586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).