N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide

C11H16N2OS — CID 107019569

IUPACN-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
SMILESCN(C)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C11H16N2OS/c1-13(2)8-7-12-11(14)9-3-5-10(15)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,12,14)
InChIKeyMGLINBXECCKVMO-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide

N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide (PubChem CID 107019569) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
PubChem CID107019569
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
SMILESCN(C)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C11H16N2OS/c1-13(2)8-7-12-11(14)9-3-5-10(15)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,12,14)
InChIKeyMGLINBXECCKVMO-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
CID 107027548
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 110764850
N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816514
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-decyl-4-sulfanylbenzamide
CID 107032455
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide (CID 107019569) is N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide is CN(C)CCNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide?
The InChIKey is MGLINBXECCKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(2)8-7-12-11(14)9-3-5-10(15)6-4-9/h3-6,15H,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide?
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide has a molecular weight of 224.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107019569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).