2-(2-aminoethylsulfonyl)ethanamine;hydrochloride

C4H13ClN2O2S — CID 131728699

IUPAC2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O2S.ClH/c5-1-3-9(7,8)4-2-6;/h1-6H2;1H
InChIKeyYCSNSIHWESUAPE-UHFFFAOYSA-N
MW188.68 g/mol
LogP-1.26
Rot. Bonds4

About 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride

2-(2-aminoethylsulfonyl)ethanamine;hydrochloride (PubChem CID 131728699) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
PubChem CID131728699
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC Name2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)CCN
InChIInChI=1S/C4H12N2O2S.ClH/c5-1-3-9(7,8)4-2-6;/h1-6H2;1H
InChIKeyYCSNSIHWESUAPE-UHFFFAOYSA-N
XLogP-1.26
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87244775
3-(2-fluoroethylsulfonyl)propan-1-amine
CID 58684365
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2-aminoethanesulfonic acid;iron
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride (CID 131728699) is 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride is Cl.NCCS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride?
The InChIKey is YCSNSIHWESUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c5-1-3-9(7,8)4-2-6;/h1-6H2;1H.
What are the key properties of 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride?
2-(2-aminoethylsulfonyl)ethanamine;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)ethanamine;hydrochloride is sourced from PubChem (CID 131728699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).