ethylaminomethanesulfonic acid;hydrochloride

C3H10ClNO3S — CID 174940745

IUPACethylaminomethanesulfonic acid;hydrochloride
SMILESCCNCS(=O)(=O)O.Cl
InChIInChI=1S/C3H9NO3S.ClH/c1-2-4-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);1H
InChIKeyPWPFTBODNDPUHJ-UHFFFAOYSA-N
MW175.64 g/mol
LogP-0.14
Rot. Bonds3

About ethylaminomethanesulfonic acid;hydrochloride

ethylaminomethanesulfonic acid;hydrochloride (PubChem CID 174940745) has the molecular formula C3H10ClNO3S and a molecular weight of 175.64 g/mol. Its IUPAC name is ethylaminomethanesulfonic acid;hydrochloride.

Molecular Properties

Compound Nameethylaminomethanesulfonic acid;hydrochloride
PubChem CID174940745
Molecular FormulaC3H10ClNO3S
Molecular Weight175.64 g/mol
Exact Mass175.01
IUPAC Nameethylaminomethanesulfonic acid;hydrochloride
SMILESCCNCS(=O)(=O)O.Cl
InChIInChI=1S/C3H9NO3S.ClH/c1-2-4-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);1H
InChIKeyPWPFTBODNDPUHJ-UHFFFAOYSA-N
XLogP-0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethylethanamine;propane-1-sulfonic acid
CID 159426890
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
N-(propan-2-ylsulfonylmethyl)ethanamine
CID 117036372
cobalt;ethanesulfonic acid
CID 162463828
ethanesulfonic acid;hexahydrofluoride
CID 174503180
ethanesulfonic acid;zinc
CID 87105443
2-(ethylamino)ethane-1,1-disulfonic acid
CID 154166868
ethanesulfonic acid;formic acid
CID 87503053
N-ethylethanamine;sulfuryl dichloride
CID 174619621
(4-methylpentylamino)methanesulfonic acid
CID 22721336
CID 172802604
CID 172802604
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016

Frequently Asked Questions

What is the IUPAC name of ethylaminomethanesulfonic acid;hydrochloride?
The IUPAC name of ethylaminomethanesulfonic acid;hydrochloride (CID 174940745) is ethylaminomethanesulfonic acid;hydrochloride.
What is the SMILES notation for ethylaminomethanesulfonic acid;hydrochloride?
The canonical SMILES for ethylaminomethanesulfonic acid;hydrochloride is CCNCS(=O)(=O)O.Cl.
What is the InChIKey of ethylaminomethanesulfonic acid;hydrochloride?
The InChIKey is PWPFTBODNDPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.ClH/c1-2-4-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);1H.
What are the key properties of ethylaminomethanesulfonic acid;hydrochloride?
ethylaminomethanesulfonic acid;hydrochloride has a molecular weight of 175.64 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminomethanesulfonic acid;hydrochloride is sourced from PubChem (CID 174940745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).