5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid

C7H10FNO2S2 — CID 137443199

IUPAC5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid
SMILESCN(C)Cc1cc(F)c(S(=O)O)s1
InChIInChI=1S/C7H10FNO2S2/c1-9(2)4-5-3-6(8)7(12-5)13(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKeyBHQZZGMLINBHRX-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.53
Rot. Bonds3

About 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid

5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid (PubChem CID 137443199) has the molecular formula C7H10FNO2S2 and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid
PubChem CID137443199
Molecular FormulaC7H10FNO2S2
Molecular Weight223.29 g/mol
Exact Mass223.01
IUPAC Name5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid
SMILESCN(C)Cc1cc(F)c(S(=O)O)s1
InChIInChI=1S/C7H10FNO2S2/c1-9(2)4-5-3-6(8)7(12-5)13(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKeyBHQZZGMLINBHRX-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride
CID 135209814
1-(4-fluorothiophen-2-yl)-N,N-dimethylmethanamine
CID 137443203
5-[(Dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 137443212
5-((Dimethylamino)methyl)-3-fluorothiophene-2-sulfonyl chloride
CID 137443218
1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine
CID 142522387
5-(Azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
CID 146611145
1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine
CID 167348243
1-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]-N-methylmethanamine
CID 169633150
3-Fluoro-5-(methylaminomethyl)thiophene-2-sulfinamide
CID 153590170
5-Diallylaminomethyl-thiophene-2-sulfonyl chloride
CID 11380769
5-[[Bis(prop-2-enyl)amino]methyl]thiophene-2-sulfonic acid
CID 17810160
N-methyl-1-(5-methylsulfonylthiophen-2-yl)methanamine
CID 68908348

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid?
The IUPAC name of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid (CID 137443199) is 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid?
The canonical SMILES for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid is CN(C)Cc1cc(F)c(S(=O)O)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid?
The InChIKey is BHQZZGMLINBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2S2/c1-9(2)4-5-3-6(8)7(12-5)13(10)11/h3H,4H2,1-2H3,(H,10,11).
What are the key properties of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid?
5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid has a molecular weight of 223.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid is sourced from PubChem (CID 137443199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).