N,2,2-triethyl-4-methylsulfonylbutan-1-amine

C11H25NO2S — CID 62723454

IUPACN,2,2-triethyl-4-methylsulfonylbutan-1-amine
SMILESCCNCC(CC)(CC)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-7-3)8-9-15(4,13)14/h12H,5-10H2,1-4H3
InChIKeyJERVKZZZMBVRLG-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N,2,2-triethyl-4-methylsulfonylbutan-1-amine

N,2,2-triethyl-4-methylsulfonylbutan-1-amine (PubChem CID 62723454) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N,2,2-triethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-4-methylsulfonylbutan-1-amine
PubChem CID62723454
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN,2,2-triethyl-4-methylsulfonylbutan-1-amine
SMILESCCNCC(CC)(CC)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-7-3)8-9-15(4,13)14/h12H,5-10H2,1-4H3
InChIKeyJERVKZZZMBVRLG-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of N,2,2-triethyl-4-methylsulfonylbutan-1-amine (CID 62723454) is N,2,2-triethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N,2,2-triethyl-4-methylsulfonylbutan-1-amine is CCNCC(CC)(CC)CCS(C)(=O)=O.
What is the InChIKey of N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is JERVKZZZMBVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(6-2,10-12-7-3)8-9-15(4,13)14/h12H,5-10H2,1-4H3.
What are the key properties of N,2,2-triethyl-4-methylsulfonylbutan-1-amine?
N,2,2-triethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).