2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine

C9H21NO2S — CID 63195975

IUPAC2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
SMILESCCC(C)(CN)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-9(2,8-10)6-5-7-13(3,11)12/h4-8,10H2,1-3H3
InChIKeyMZMAWITUPAQFJY-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.19
Rot. Bonds6

About 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine

2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine (PubChem CID 63195975) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
PubChem CID63195975
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
SMILESCCC(C)(CN)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-9(2,8-10)6-5-7-13(3,11)12/h4-8,10H2,1-3H3
InChIKeyMZMAWITUPAQFJY-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-methyl-5-methylsulfonylpentan-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 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine (CID 63195975) is 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine is CCC(C)(CN)CCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The InChIKey is MZMAWITUPAQFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-9(2,8-10)6-5-7-13(3,11)12/h4-8,10H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 63195975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).