ethylaminomethanesulfonic acid

C3H9NO3S — CID 12731395

IUPACethylaminomethanesulfonic acid
SMILESCCNCS(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeyKYEDOONOJDZEFS-UHFFFAOYSA-N
MW139.18 g/mol
LogP-0.56
Rot. Bonds3

About ethylaminomethanesulfonic acid

ethylaminomethanesulfonic acid (PubChem CID 12731395) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is ethylaminomethanesulfonic acid.

Molecular Properties

Compound Nameethylaminomethanesulfonic acid
PubChem CID12731395
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Nameethylaminomethanesulfonic acid
SMILESCCNCS(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeyKYEDOONOJDZEFS-UHFFFAOYSA-N
XLogP-0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.56
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-Methyltaurine
CID 7882
Ethanamine, N-ethyl-, methanesulfonate (1:1)
CID 44149223
N-isopropylaminomethane-sulfonic acid
CID 12731396
Methylaminoathansulfosaure
CID 18457603
Methanesulfonic acid--ethanamine (1/1)
CID 71357992
N-(hydroxysulfonothioylmethyl)ethanamine
CID 54230974
(2-Methylpropylamino)methanesulfonic acid
CID 12731397
Butylaminomethanesulfonic acid
CID 12731398
Azane;2-(methylamino)ethanesulfonic acid
CID 18364661
2-(Methylamino)ethanesulfinic acid
CID 18740582
1-(Ethylamino)ethanesulfonic acid
CID 19895973
Methyl(2-sulfoethyl)azanium
CID 20393453

Frequently Asked Questions

What is the IUPAC name of ethylaminomethanesulfonic acid?
The IUPAC name of ethylaminomethanesulfonic acid (CID 12731395) is ethylaminomethanesulfonic acid.
What is the SMILES notation for ethylaminomethanesulfonic acid?
The canonical SMILES for ethylaminomethanesulfonic acid is CCNCS(=O)(=O)O.
What is the InChIKey of ethylaminomethanesulfonic acid?
The InChIKey is KYEDOONOJDZEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7).
What are the key properties of ethylaminomethanesulfonic acid?
ethylaminomethanesulfonic acid has a molecular weight of 139.18 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminomethanesulfonic acid is sourced from PubChem (CID 12731395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).