5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide

C7H11FN2O2S2 — CID 137443212

IUPAC5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
SMILESCN(C)Cc1cc(F)c(S(N)(=O)=O)s1
InChIInChI=1S/C7H11FN2O2S2/c1-10(2)4-5-3-6(8)7(13-5)14(9,11)12/h3H,4H2,1-2H3,(H2,9,11,12)
InChIKeyPDLJZQWZVSNVFO-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.60
Rot. Bonds3

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

5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide (PubChem CID 137443212) has the molecular formula C7H11FN2O2S2 and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
PubChem CID137443212
Molecular FormulaC7H11FN2O2S2
Molecular Weight238.31 g/mol
Exact Mass238.02
IUPAC Name5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
SMILESCN(C)Cc1cc(F)c(S(N)(=O)=O)s1
InChIInChI=1S/C7H11FN2O2S2/c1-10(2)4-5-3-6(8)7(13-5)14(9,11)12/h3H,4H2,1-2H3,(H2,9,11,12)
InChIKeyPDLJZQWZVSNVFO-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
5-(aminomethyl)-N-ethylthiophene-2-sulfonamide
CID 43155678
5-(aminomethyl)-N-methylthiophene-2-sulfonamide hydrochloride
CID 16340559
2-[2-Fluoroethyl(thiophen-2-ylmethyl)amino]ethanesulfonyl fluoride
CID 135209814
5-[(Dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid
CID 137443199
5-((Dimethylamino)methyl)-3-fluorothiophene-2-sulfonyl chloride
CID 137443218
1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine
CID 142522387
N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 142522463
5-(Azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
CID 146611145

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
The IUPAC name of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide (CID 137443212) is 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide is CN(C)Cc1cc(F)c(S(N)(=O)=O)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
The InChIKey is PDLJZQWZVSNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O2S2/c1-10(2)4-5-3-6(8)7(13-5)14(9,11)12/h3H,4H2,1-2H3,(H2,9,11,12).
What are the key properties of 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide has a molecular weight of 238.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 137443212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).