methanesulfinic acid;N-methylethanamine

C4H13NO2S — CID 143093563

IUPACmethanesulfinic acid;N-methylethanamine
SMILESCCNC.CS(=O)O
InChIInChI=1S/C3H9N.CH4O2S/c1-3-4-2;1-4(2)3/h4H,3H2,1-2H3;1H3,(H,2,3)
InChIKeyKFLBEZFHWBHANB-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.06
Rot. Bonds1

About methanesulfinic acid;N-methylethanamine

methanesulfinic acid;N-methylethanamine (PubChem CID 143093563) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is methanesulfinic acid;N-methylethanamine.

Molecular Properties

Compound Namemethanesulfinic acid;N-methylethanamine
PubChem CID143093563
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC Namemethanesulfinic acid;N-methylethanamine
SMILESCCNC.CS(=O)O
InChIInChI=1S/C3H9N.CH4O2S/c1-3-4-2;1-4(2)3/h4H,3H2,1-2H3;1H3,(H,2,3)
InChIKeyKFLBEZFHWBHANB-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyltaurine
CID 7882
Ethanesulfonic acid, 2-(ethylamino)-
CID 10176225
Ethanamine, N-ethyl-, methanesulfonate (1:1)
CID 44149223
N-isopropylaminomethane-sulfonic acid
CID 12731396
Diethylammonium mesylate
CID 87641845
N-(hydroxysulfonothioylmethyl)ethanamine
CID 54230974
Ethylaminomethanesulfonic acid
CID 12731395
Butylaminomethanesulfonic acid
CID 12731398
2-(Methylamino)ethanesulfinic acid
CID 18740582
Methyl(2-sulfoethyl)azanium
CID 20393453
2-hydroxysulfonothioyl-N-methylethanamine
CID 53999085
Propylaminomethanesulfonic acid
CID 54198060

Frequently Asked Questions

What is the IUPAC name of methanesulfinic acid;N-methylethanamine?
The IUPAC name of methanesulfinic acid;N-methylethanamine (CID 143093563) is methanesulfinic acid;N-methylethanamine.
What is the SMILES notation for methanesulfinic acid;N-methylethanamine?
The canonical SMILES for methanesulfinic acid;N-methylethanamine is CCNC.CS(=O)O.
What is the InChIKey of methanesulfinic acid;N-methylethanamine?
The InChIKey is KFLBEZFHWBHANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH4O2S/c1-3-4-2;1-4(2)3/h4H,3H2,1-2H3;1H3,(H,2,3).
What are the key properties of methanesulfinic acid;N-methylethanamine?
methanesulfinic acid;N-methylethanamine has a molecular weight of 139.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfinic acid;N-methylethanamine is sourced from PubChem (CID 143093563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).