5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine

C11H25NO2S — CID 65262941

IUPAC5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2,3)15(13,14)8-6-7-11(4,5)9-12/h6-9,12H2,1-5H3
InChIKeyCGQACGINVHNEHS-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.96
Rot. Bonds5

About 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine

5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine (PubChem CID 65262941) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine
PubChem CID65262941
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2,3)15(13,14)8-6-7-11(4,5)9-12/h6-9,12H2,1-5H3
InChIKeyCGQACGINVHNEHS-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine (CID 65262941) is 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine?
The InChIKey is CGQACGINVHNEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2,3)15(13,14)8-6-7-11(4,5)9-12/h6-9,12H2,1-5H3.
What are the key properties of 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine?
5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65262941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).