2-(2-methylpropylamino)ethanesulfonamide

C6H16N2O2S — CID 43551947

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

About 2-(2-methylpropylamino)ethanesulfonamide

2-(2-methylpropylamino)ethanesulfonamide (PubChem CID 43551947) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(2-methylpropylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)ethanesulfonamide
PubChem CID43551947
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name2-(2-methylpropylamino)ethanesulfonamide
SMILESCC(C)CNCCS(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)5-8-3-4-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10)
InChIKeyJZIJSCYUBHOGOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)ethanesulfonamide?
The IUPAC name of 2-(2-methylpropylamino)ethanesulfonamide (CID 43551947) is 2-(2-methylpropylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2-methylpropylamino)ethanesulfonamide?
The canonical SMILES for 2-(2-methylpropylamino)ethanesulfonamide is CC(C)CNCCS(N)(=O)=O.
What is the InChIKey of 2-(2-methylpropylamino)ethanesulfonamide?
The InChIKey is JZIJSCYUBHOGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2)5-8-3-4-11(7,9)10/h6,8H,3-5H2,1-2H3,(H2,7,9,10).
What are the key properties of 2-(2-methylpropylamino)ethanesulfonamide?
2-(2-methylpropylamino)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-(2-methylpropylamino)ethanesulfonamide is sourced from PubChem (CID 43551947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).