ethane;(4-methylphenyl)sulfonylmethylazanium

C10H18NO2S+ — CID 145005108

IUPACethane;(4-methylphenyl)sulfonylmethylazanium
SMILESCC.Cc1ccc(S(=O)(=O)C[NH3+])cc1
InChIInChI=1S/C8H11NO2S.C2H6/c1-7-2-4-8(5-3-7)12(10,11)6-9;1-2/h2-5H,6,9H2,1H3;1-2H3/p+1
InChIKeyQBUVROUBCKPIQM-UHFFFAOYSA-O
MW216.33 g/mol
LogP0.99
Rot. Bonds2

About ethane;(4-methylphenyl)sulfonylmethylazanium

ethane;(4-methylphenyl)sulfonylmethylazanium (PubChem CID 145005108) has the molecular formula C10H18NO2S+ and a molecular weight of 216.33 g/mol. Its IUPAC name is ethane;(4-methylphenyl)sulfonylmethylazanium.

Molecular Properties

Compound Nameethane;(4-methylphenyl)sulfonylmethylazanium
PubChem CID145005108
Molecular FormulaC10H18NO2S+
Molecular Weight216.33 g/mol
Exact Mass216.11
IUPAC Nameethane;(4-methylphenyl)sulfonylmethylazanium
SMILESCC.Cc1ccc(S(=O)(=O)C[NH3+])cc1
InChIInChI=1S/C8H11NO2S.C2H6/c1-7-2-4-8(5-3-7)12(10,11)6-9;1-2/h2-5H,6,9H2,1H3;1-2H3/p+1
InChIKeyQBUVROUBCKPIQM-UHFFFAOYSA-O
XLogP0.99
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
(4-methylphenyl)sulfonylmethanesulfonyl iodide
CID 91415915
(4-methylphenyl)sulfonyloxidanium
CID 5175018
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
CID 71371695
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)sulfonylmethylazanium?
The IUPAC name of ethane;(4-methylphenyl)sulfonylmethylazanium (CID 145005108) is ethane;(4-methylphenyl)sulfonylmethylazanium.
What is the SMILES notation for ethane;(4-methylphenyl)sulfonylmethylazanium?
The canonical SMILES for ethane;(4-methylphenyl)sulfonylmethylazanium is CC.Cc1ccc(S(=O)(=O)C[NH3+])cc1.
What is the InChIKey of ethane;(4-methylphenyl)sulfonylmethylazanium?
The InChIKey is QBUVROUBCKPIQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO2S.C2H6/c1-7-2-4-8(5-3-7)12(10,11)6-9;1-2/h2-5H,6,9H2,1H3;1-2H3/p+1.
What are the key properties of ethane;(4-methylphenyl)sulfonylmethylazanium?
ethane;(4-methylphenyl)sulfonylmethylazanium has a molecular weight of 216.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)sulfonylmethylazanium is sourced from PubChem (CID 145005108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).