ethane;N-(3-methylbutan-2-yl)methanesulfonamide

C8H21NO2S — CID 165393833

IUPACethane;N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC.CC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C6H15NO2S.C2H6/c1-5(2)6(3)7-10(4,8)9;1-2/h5-7H,1-4H3;1-2H3
InChIKeyKQFUKWOJGVCZAL-UHFFFAOYSA-N
MW195.33 g/mol
LogP1.61
Rot. Bonds3

About ethane;N-(3-methylbutan-2-yl)methanesulfonamide

ethane;N-(3-methylbutan-2-yl)methanesulfonamide (PubChem CID 165393833) has the molecular formula C8H21NO2S and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;N-(3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Nameethane;N-(3-methylbutan-2-yl)methanesulfonamide
PubChem CID165393833
Molecular FormulaC8H21NO2S
Molecular Weight195.33 g/mol
Exact Mass195.13
IUPAC Nameethane;N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC.CC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C6H15NO2S.C2H6/c1-5(2)6(3)7-10(4,8)9;1-2/h5-7H,1-4H3;1-2H3
InChIKeyKQFUKWOJGVCZAL-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of ethane;N-(3-methylbutan-2-yl)methanesulfonamide (CID 165393833) is ethane;N-(3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for ethane;N-(3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for ethane;N-(3-methylbutan-2-yl)methanesulfonamide is CC.CC(C)C(C)NS(C)(=O)=O.
What is the InChIKey of ethane;N-(3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is KQFUKWOJGVCZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S.C2H6/c1-5(2)6(3)7-10(4,8)9;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of ethane;N-(3-methylbutan-2-yl)methanesulfonamide?
ethane;N-(3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 195.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 165393833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).