2-butylsulfonyl-2-methylpropanamide

C8H17NO3S — CID 3031099

IUPAC2-butylsulfonyl-2-methylpropanamide
SMILESCCCCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C8H17NO3S/c1-4-5-6-13(11,12)8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyFPOHFLCAHMISCI-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.47
Rot. Bonds5

About 2-butylsulfonyl-2-methylpropanamide

2-butylsulfonyl-2-methylpropanamide (PubChem CID 3031099) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-butylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-butylsulfonyl-2-methylpropanamide
PubChem CID3031099
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-butylsulfonyl-2-methylpropanamide
SMILESCCCCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C8H17NO3S/c1-4-5-6-13(11,12)8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyFPOHFLCAHMISCI-UHFFFAOYSA-N
XLogP0.47
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-2-methylpropanamide?
The IUPAC name of 2-butylsulfonyl-2-methylpropanamide (CID 3031099) is 2-butylsulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-butylsulfonyl-2-methylpropanamide?
The canonical SMILES for 2-butylsulfonyl-2-methylpropanamide is CCCCS(=O)(=O)C(C)(C)C(N)=O.
What is the InChIKey of 2-butylsulfonyl-2-methylpropanamide?
The InChIKey is FPOHFLCAHMISCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-5-6-13(11,12)8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10).
What are the key properties of 2-butylsulfonyl-2-methylpropanamide?
2-butylsulfonyl-2-methylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 3031099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).