N-(2-aminoethyl)-N-tert-butylmethanesulfonamide

C7H18N2O2S — CID 28708151

IUPACN-(2-aminoethyl)-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)N(CCN)S(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)9(6-5-8)12(4,10)11/h5-6,8H2,1-4H3
InChIKeyGZKULPOIHWLITG-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.01
Rot. Bonds3

About N-(2-aminoethyl)-N-tert-butylmethanesulfonamide

N-(2-aminoethyl)-N-tert-butylmethanesulfonamide (PubChem CID 28708151) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-tert-butylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-tert-butylmethanesulfonamide
PubChem CID28708151
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-(2-aminoethyl)-N-tert-butylmethanesulfonamide
SMILESCC(C)(C)N(CCN)S(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)9(6-5-8)12(4,10)11/h5-6,8H2,1-4H3
InChIKeyGZKULPOIHWLITG-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-tert-butylmethanesulfonamide 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 N-(2-aminoethyl)-N-tert-butylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-tert-butylmethanesulfonamide (CID 28708151) is N-(2-aminoethyl)-N-tert-butylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-tert-butylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-tert-butylmethanesulfonamide is CC(C)(C)N(CCN)S(C)(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-N-tert-butylmethanesulfonamide?
The InChIKey is GZKULPOIHWLITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2,3)9(6-5-8)12(4,10)11/h5-6,8H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-N-tert-butylmethanesulfonamide?
N-(2-aminoethyl)-N-tert-butylmethanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-tert-butylmethanesulfonamide is sourced from PubChem (CID 28708151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).