N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane

C10H19NO2S — CID 142029980

IUPACN,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
SMILESCC.CNS(=O)(=O)C1=C(C)CCC=C1
InChIInChI=1S/C8H13NO2S.C2H6/c1-7-5-3-4-6-8(7)12(10,11)9-2;1-2/h4,6,9H,3,5H2,1-2H3;1-2H3
InChIKeyYXMVJCATHUDVCW-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.19
Rot. Bonds2

About N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane

N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane (PubChem CID 142029980) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane.

Molecular Properties

Compound NameN,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
PubChem CID142029980
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane
SMILESCC.CNS(=O)(=O)C1=C(C)CCC=C1
InChIInChI=1S/C8H13NO2S.C2H6/c1-7-5-3-4-6-8(7)12(10,11)9-2;1-2/h4,6,9H,3,5H2,1-2H3;1-2H3
InChIKeyYXMVJCATHUDVCW-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 144797853
N,4-dimethyl-1-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 149836130
N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 22282495
(1E)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 56942410
(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 56942411
N,3-dimethylbenzene-5-ide-1-sulfonamide;rubidium(1+)
CID 59534028
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-methylcyclohexa-2,4-diene-1-sulfonamide
CID 70317895
3-(aminomethyl)-N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 71132753
N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 76468761
N-methyl-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 88599729
(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 89024059

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
The IUPAC name of N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane (CID 142029980) is N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane.
What is the SMILES notation for N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
The canonical SMILES for N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane is CC.CNS(=O)(=O)C1=C(C)CCC=C1.
What is the InChIKey of N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
The InChIKey is YXMVJCATHUDVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S.C2H6/c1-7-5-3-4-6-8(7)12(10,11)9-2;1-2/h4,6,9H,3,5H2,1-2H3;1-2H3.
What are the key properties of N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane?
N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane has a molecular weight of 217.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylcyclohexa-1,5-diene-1-sulfonamide;ethane is sourced from PubChem (CID 142029980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).