3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide

C13H17NO2S — CID 43296951

IUPAC3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCSC2)cc1O
InChIInChI=1S/C13H17NO2S/c1-9-3-4-10(7-12(9)15)13(16)14(2)11-5-6-17-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyYEZTWMVDIVROJO-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.28
Rot. Bonds2

About 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide

3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide (PubChem CID 43296951) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
PubChem CID43296951
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCSC2)cc1O
InChIInChI=1S/C13H17NO2S/c1-9-3-4-10(7-12(9)15)13(16)14(2)11-5-6-17-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyYEZTWMVDIVROJO-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
CID 63212671
N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
CID 43582046
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743
3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
CID 55137571
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide (CID 43296951) is 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide is Cc1ccc(C(=O)N(C)C2CCSC2)cc1O.
What is the InChIKey of 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide?
The InChIKey is YEZTWMVDIVROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-3-4-10(7-12(9)15)13(16)14(2)11-5-6-17-8-11/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide?
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide has a molecular weight of 251.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 43296951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).