N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane

C10H19NO2S — CID 144786583

IUPACN,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
SMILESCC.CN(C)S(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C8H13NO2S.C2H6/c1-9(2)12(10,11)8-6-4-3-5-7-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyIGCYOWTXJAHVIY-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.14
Rot. Bonds2

About N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane

N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane (PubChem CID 144786583) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane.

Molecular Properties

Compound NameN,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
PubChem CID144786583
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
SMILESCC.CN(C)S(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C8H13NO2S.C2H6/c1-9(2)12(10,11)8-6-4-3-5-7-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyIGCYOWTXJAHVIY-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
The IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane (CID 144786583) is N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane.
What is the SMILES notation for N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
The canonical SMILES for N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane is CC.CN(C)S(=O)(=O)C1=CCCC=C1.
What is the InChIKey of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
The InChIKey is IGCYOWTXJAHVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S.C2H6/c1-9(2)12(10,11)8-6-4-3-5-7-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane has a molecular weight of 217.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane is sourced from PubChem (CID 144786583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).