2-methyl-2-(3-methylbutylsulfonyl)propanamide

C9H19NO3S — CID 89392976

IUPAC2-methyl-2-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C9H19NO3S/c1-7(2)5-6-14(12,13)9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyIYDMEMYSZFTJBN-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.71
Rot. Bonds5

About 2-methyl-2-(3-methylbutylsulfonyl)propanamide

2-methyl-2-(3-methylbutylsulfonyl)propanamide (PubChem CID 89392976) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutylsulfonyl)propanamide
PubChem CID89392976
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-2-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)C(C)(C)C(N)=O
InChIInChI=1S/C9H19NO3S/c1-7(2)5-6-14(12,13)9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyIYDMEMYSZFTJBN-UHFFFAOYSA-N
XLogP0.71
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutylsulfonyl)propanamide?
The IUPAC name of 2-methyl-2-(3-methylbutylsulfonyl)propanamide (CID 89392976) is 2-methyl-2-(3-methylbutylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylbutylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-2-(3-methylbutylsulfonyl)propanamide is CC(C)CCS(=O)(=O)C(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-(3-methylbutylsulfonyl)propanamide?
The InChIKey is IYDMEMYSZFTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)5-6-14(12,13)9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-methyl-2-(3-methylbutylsulfonyl)propanamide?
2-methyl-2-(3-methylbutylsulfonyl)propanamide has a molecular weight of 221.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 89392976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).