ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide

C11H27NO2S — CID 142809235

IUPACethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide
SMILESCC.CCCC(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S.C2H6/c1-6-7-8(2)10-13(11,12)9(3,4)5;1-2/h8,10H,6-7H2,1-5H3;1-2H3
InChIKeyMQSOCCFYMPZLIN-UHFFFAOYSA-N
MW237.41 g/mol
LogP2.92
Rot. Bonds4

About ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide

ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide (PubChem CID 142809235) has the molecular formula C11H27NO2S and a molecular weight of 237.41 g/mol. Its IUPAC name is ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound Nameethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide
PubChem CID142809235
Molecular FormulaC11H27NO2S
Molecular Weight237.41 g/mol
Exact Mass237.18
IUPAC Nameethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide
SMILESCC.CCCC(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO2S.C2H6/c1-6-7-8(2)10-13(11,12)9(3,4)5;1-2/h8,10H,6-7H2,1-5H3;1-2H3
InChIKeyMQSOCCFYMPZLIN-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
The IUPAC name of ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide (CID 142809235) is ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
The canonical SMILES for ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide is CC.CCCC(C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
The InChIKey is MQSOCCFYMPZLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S.C2H6/c1-6-7-8(2)10-13(11,12)9(3,4)5;1-2/h8,10H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide has a molecular weight of 237.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-pentan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 142809235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).