5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine

C11H25NO2S — CID 65263093

IUPAC5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCCC(C)S(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C11H25NO2S/c1-5-10(2)15(13,14)8-6-7-11(3,4)9-12/h10H,5-9,12H2,1-4H3
InChIKeyPUCUGKHFFUZIRH-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.96
Rot. Bonds7

About 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine

5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine (PubChem CID 65263093) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine
PubChem CID65263093
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCCC(C)S(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C11H25NO2S/c1-5-10(2)15(13,14)8-6-7-11(3,4)9-12/h10H,5-9,12H2,1-4H3
InChIKeyPUCUGKHFFUZIRH-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine (CID 65263093) is 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine is CCC(C)S(=O)(=O)CCCC(C)(C)CN.
What is the InChIKey of 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine?
The InChIKey is PUCUGKHFFUZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-10(2)15(13,14)8-6-7-11(3,4)9-12/h10H,5-9,12H2,1-4H3.
What are the key properties of 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine?
5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfonyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65263093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).