2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide

C8H20N2O2S — CID 43295868

IUPAC2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)CCN
InChIInChI=1S/C8H20N2O2S/c1-4-8(2)7-10(3)13(11,12)6-5-9/h8H,4-7,9H2,1-3H3
InChIKeyGAISCVVDJNZHIK-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide

2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide (PubChem CID 43295868) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide
PubChem CID43295868
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)CCN
InChIInChI=1S/C8H20N2O2S/c1-4-8(2)7-10(3)13(11,12)6-5-9/h8H,4-7,9H2,1-3H3
InChIKeyGAISCVVDJNZHIK-UHFFFAOYSA-N
XLogP0.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide (CID 43295868) is 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide is CCC(C)CN(C)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide?
The InChIKey is GAISCVVDJNZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-8(2)7-10(3)13(11,12)6-5-9/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide?
2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 43295868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).