N-(2-aminoethyl)-2-phenylethanesulfonamide

C10H16N2O2S — CID 28754004

IUPACN-(2-aminoethyl)-2-phenylethanesulfonamide
SMILESNCCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C10H16N2O2S/c11-7-8-12-15(13,14)9-6-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
InChIKeyZISKMGCLLKOZHM-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.11
Rot. Bonds6

About N-(2-aminoethyl)-2-phenylethanesulfonamide

N-(2-aminoethyl)-2-phenylethanesulfonamide (PubChem CID 28754004) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-phenylethanesulfonamide
PubChem CID28754004
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-aminoethyl)-2-phenylethanesulfonamide
SMILESNCCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C10H16N2O2S/c11-7-8-12-15(13,14)9-6-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
InChIKeyZISKMGCLLKOZHM-UHFFFAOYSA-N
XLogP0.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.11
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-phenylethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-phenylethanesulfonamide (CID 28754004) is N-(2-aminoethyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-phenylethanesulfonamide is NCCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-phenylethanesulfonamide?
The InChIKey is ZISKMGCLLKOZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-7-8-12-15(13,14)9-6-10-4-2-1-3-5-10/h1-5,12H,6-9,11H2.
What are the key properties of N-(2-aminoethyl)-2-phenylethanesulfonamide?
N-(2-aminoethyl)-2-phenylethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 28754004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).