N-(2-aminoethyl)ethanesulfonamide;hydrochloride

C4H13ClN2O2S — CID 47003087

IUPACN-(2-aminoethyl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-2-9(7,8)6-4-3-5;/h6H,2-5H2,1H3;1H
InChIKeyKTAPTDYZABVCRO-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.69
Rot. Bonds4

About N-(2-aminoethyl)ethanesulfonamide;hydrochloride

N-(2-aminoethyl)ethanesulfonamide;hydrochloride (PubChem CID 47003087) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is N-(2-aminoethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)ethanesulfonamide;hydrochloride
PubChem CID47003087
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC NameN-(2-aminoethyl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-2-9(7,8)6-4-3-5;/h6H,2-5H2,1H3;1H
InChIKeyKTAPTDYZABVCRO-UHFFFAOYSA-N
XLogP-0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)ethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)ethanesulfonamide;hydrochloride (CID 47003087) is N-(2-aminoethyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)ethanesulfonamide;hydrochloride?
The InChIKey is KTAPTDYZABVCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-2-9(7,8)6-4-3-5;/h6H,2-5H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)ethanesulfonamide;hydrochloride?
N-(2-aminoethyl)ethanesulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 47003087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).