N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide

C11H16N2O3S2 — CID 106340126

IUPACN-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccccc1S
InChIInChI=1S/C11H16N2O3S2/c1-13(2)18(15,16)8-7-12-11(14)9-5-3-4-6-10(9)17/h3-6,17H,7-8H2,1-2H3,(H,12,14)
InChIKeyCMMUJTPVRMLWHV-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.60
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide

N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide (PubChem CID 106340126) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
PubChem CID106340126
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccccc1S
InChIInChI=1S/C11H16N2O3S2/c1-13(2)18(15,16)8-7-12-11(14)9-5-3-4-6-10(9)17/h3-6,17H,7-8H2,1-2H3,(H,12,14)
InChIKeyCMMUJTPVRMLWHV-UHFFFAOYSA-N
XLogP0.60
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
CID 106339469
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide (CID 106340126) is N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide is CN(C)S(=O)(=O)CCNC(=O)c1ccccc1S.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide?
The InChIKey is CMMUJTPVRMLWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-13(2)18(15,16)8-7-12-11(14)9-5-3-4-6-10(9)17/h3-6,17H,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide?
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 106340126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).