N-(2-aminoethyl)-2-methylpropane-2-sulfonamide

C6H16N2O2S — CID 58684445

IUPACN-(2-aminoethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCN
InChIInChI=1S/C6H16N2O2S/c1-6(2,3)11(9,10)8-5-4-7/h8H,4-5,7H2,1-3H3
InChIKeyIBIKMETZLMJAPQ-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.34
Rot. Bonds3

About N-(2-aminoethyl)-2-methylpropane-2-sulfonamide

N-(2-aminoethyl)-2-methylpropane-2-sulfonamide (PubChem CID 58684445) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylpropane-2-sulfonamide
PubChem CID58684445
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-(2-aminoethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCN
InChIInChI=1S/C6H16N2O2S/c1-6(2,3)11(9,10)8-5-4-7/h8H,4-5,7H2,1-3H3
InChIKeyIBIKMETZLMJAPQ-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-methylpropane-2-sulfonamide (CID 58684445) is N-(2-aminoethyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methylpropane-2-sulfonamide?
The InChIKey is IBIKMETZLMJAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2,3)11(9,10)8-5-4-7/h8H,4-5,7H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2-methylpropane-2-sulfonamide?
N-(2-aminoethyl)-2-methylpropane-2-sulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 58684445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).