N,N,2-trimethyl-5-sulfanylbenzamide

C10H13NOS — CID 107021651

IUPACN,N,2-trimethyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)N(C)C
InChIInChI=1S/C10H13NOS/c1-7-4-5-8(13)6-9(7)10(12)11(2)3/h4-6,13H,1-3H3
InChIKeyBCSLDADDEWUVRB-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.99
Rot. Bonds1

About N,N,2-trimethyl-5-sulfanylbenzamide

N,N,2-trimethyl-5-sulfanylbenzamide (PubChem CID 107021651) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N,N,2-trimethyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-sulfanylbenzamide
PubChem CID107021651
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN,N,2-trimethyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)N(C)C
InChIInChI=1S/C10H13NOS/c1-7-4-5-8(13)6-9(7)10(12)11(2)3/h4-6,13H,1-3H3
InChIKeyBCSLDADDEWUVRB-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

N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107023651
N-butan-2-yl-N,2-dimethyl-5-sulfanylbenzamide
CID 107022481
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
CID 107033475
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide
CID 107026861
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
CID 107029072
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966
4-methyl-3-prop-1-en-2-ylbenzenethiol
CID 142019930
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-sulfanylbenzamide?
The IUPAC name of N,N,2-trimethyl-5-sulfanylbenzamide (CID 107021651) is N,N,2-trimethyl-5-sulfanylbenzamide.
What is the SMILES notation for N,N,2-trimethyl-5-sulfanylbenzamide?
The canonical SMILES for N,N,2-trimethyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-sulfanylbenzamide?
The InChIKey is BCSLDADDEWUVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-4-5-8(13)6-9(7)10(12)11(2)3/h4-6,13H,1-3H3.
What are the key properties of N,N,2-trimethyl-5-sulfanylbenzamide?
N,N,2-trimethyl-5-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,2-trimethyl-5-sulfanylbenzamide is sourced from PubChem (CID 107021651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).