2-amino-N-(2-methylpropyl)ethanesulfonamide

C6H16N2O2S — CID 16782565

IUPAC2-amino-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CNS(=O)(=O)CCN
InChIInChI=1S/C6H16N2O2S/c1-6(2)5-8-11(9,10)4-3-7/h6,8H,3-5,7H2,1-2H3
InChIKeyJUXZISPZPRDWSX-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.48
Rot. Bonds5

About 2-amino-N-(2-methylpropyl)ethanesulfonamide

2-amino-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 16782565) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)ethanesulfonamide
PubChem CID16782565
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-amino-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CNS(=O)(=O)CCN
InChIInChI=1S/C6H16N2O2S/c1-6(2)5-8-11(9,10)4-3-7/h6,8H,3-5,7H2,1-2H3
InChIKeyJUXZISPZPRDWSX-UHFFFAOYSA-N
XLogP-0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)ethanesulfonamide (CID 16782565) is 2-amino-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)ethanesulfonamide is CC(C)CNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is JUXZISPZPRDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2)5-8-11(9,10)4-3-7/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-amino-N-(2-methylpropyl)ethanesulfonamide?
2-amino-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 16782565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).