ethylsulfamic acid;hydrochloride

C2H8ClNO3S — CID 88745165

IUPACethylsulfamic acid;hydrochloride
SMILESCCNS(=O)(=O)O.Cl
InChIInChI=1S/C2H7NO3S.ClH/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);1H
InChIKeyPCYMRALDGSRCNI-UHFFFAOYSA-N
MW161.61 g/mol
LogP-0.18
Rot. Bonds2

About ethylsulfamic acid;hydrochloride

ethylsulfamic acid;hydrochloride (PubChem CID 88745165) has the molecular formula C2H8ClNO3S and a molecular weight of 161.61 g/mol. Its IUPAC name is ethylsulfamic acid;hydrochloride.

Molecular Properties

Compound Nameethylsulfamic acid;hydrochloride
PubChem CID88745165
Molecular FormulaC2H8ClNO3S
Molecular Weight161.61 g/mol
Exact Mass160.99
IUPAC Nameethylsulfamic acid;hydrochloride
SMILESCCNS(=O)(=O)O.Cl
InChIInChI=1S/C2H7NO3S.ClH/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);1H
InChIKeyPCYMRALDGSRCNI-UHFFFAOYSA-N
XLogP-0.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylsulfamic acid;hydrochloride?
The IUPAC name of ethylsulfamic acid;hydrochloride (CID 88745165) is ethylsulfamic acid;hydrochloride.
What is the SMILES notation for ethylsulfamic acid;hydrochloride?
The canonical SMILES for ethylsulfamic acid;hydrochloride is CCNS(=O)(=O)O.Cl.
What is the InChIKey of ethylsulfamic acid;hydrochloride?
The InChIKey is PCYMRALDGSRCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.ClH/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);1H.
What are the key properties of ethylsulfamic acid;hydrochloride?
ethylsulfamic acid;hydrochloride has a molecular weight of 161.61 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfamic acid;hydrochloride is sourced from PubChem (CID 88745165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).