N,N,4-trimethyl-2-sulfanylbenzamide

C10H13NOS — CID 19856182

IUPACN,N,4-trimethyl-2-sulfanylbenzamide
SMILESCc1ccc(C(=O)N(C)C)c(S)c1
InChIInChI=1S/C10H13NOS/c1-7-4-5-8(9(13)6-7)10(12)11(2)3/h4-6,13H,1-3H3
InChIKeyRAZOZUOOHWFOBM-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.99
Rot. Bonds1

About N,N,4-trimethyl-2-sulfanylbenzamide

N,N,4-trimethyl-2-sulfanylbenzamide (PubChem CID 19856182) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N,N,4-trimethyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-sulfanylbenzamide
PubChem CID19856182
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN,N,4-trimethyl-2-sulfanylbenzamide
SMILESCc1ccc(C(=O)N(C)C)c(S)c1
InChIInChI=1S/C10H13NOS/c1-7-4-5-8(9(13)6-7)10(12)11(2)3/h4-6,13H,1-3H3
InChIKeyRAZOZUOOHWFOBM-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-sulfanylbenzamide
CID 89156088
2-(dimethylamino)-N,N,5-trimethylbenzamide
CID 118297012
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651
N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580
(2-hydroxy-4-sulfanylphenyl)-(4-methyl-2-sulfanylphenyl)methanone
CID 144572641
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
7-bromo-N,N,20-trimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17(22),18,20-undecaene-4-carboxamide
CID 10527164
2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
CID 71527195
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide
CID 107022327
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-sulfanylbenzamide?
The IUPAC name of N,N,4-trimethyl-2-sulfanylbenzamide (CID 19856182) is N,N,4-trimethyl-2-sulfanylbenzamide.
What is the SMILES notation for N,N,4-trimethyl-2-sulfanylbenzamide?
The canonical SMILES for N,N,4-trimethyl-2-sulfanylbenzamide is Cc1ccc(C(=O)N(C)C)c(S)c1.
What is the InChIKey of N,N,4-trimethyl-2-sulfanylbenzamide?
The InChIKey is RAZOZUOOHWFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-4-5-8(9(13)6-7)10(12)11(2)3/h4-6,13H,1-3H3.
What are the key properties of N,N,4-trimethyl-2-sulfanylbenzamide?
N,N,4-trimethyl-2-sulfanylbenzamide has a molecular weight of 195.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-sulfanylbenzamide is sourced from PubChem (CID 19856182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).