1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine

C8H12FNOS2 — CID 142522387

IUPAC1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine
SMILESCOSc1sc(CN(C)C)cc1F
InChIInChI=1S/C8H12FNOS2/c1-10(2)5-6-4-7(9)8(12-6)13-11-3/h4H,5H2,1-3H3
InChIKeyQFTYQVYEQQUQNX-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine

1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine (PubChem CID 142522387) has the molecular formula C8H12FNOS2 and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine
PubChem CID142522387
Molecular FormulaC8H12FNOS2
Molecular Weight221.32 g/mol
Exact Mass221.03
IUPAC Name1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine
SMILESCOSc1sc(CN(C)C)cc1F
InChIInChI=1S/C8H12FNOS2/c1-10(2)5-6-4-7(9)8(12-6)13-11-3/h4H,5H2,1-3H3
InChIKeyQFTYQVYEQQUQNX-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(5-methyl-2-thienyl)methanamine
CID 12290179
5-[(Dimethylamino)methyl]-3-fluorothiophene-2-sulfinic acid
CID 137443199
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-methylthiophen-2-yl)-N,N-dimethylmethanamine
CID 167348243
1-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]-N-methylmethanamine
CID 169633150
2-Thiophenemethanaminium, 5-(ethylthio)-N,N,N-trimethyl-, iodide
CID 2827153
Trimethyl(thiophen-2-ylmethyl)azanium
CID 4851589
5-Ethylthio-2-dimethylaminomethylthiophene
CID 12283668
2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 131222871
3-Fluoro-5-(methylaminomethyl)thiophene-2-sulfinamide
CID 153590170

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine (CID 142522387) is 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine is COSc1sc(CN(C)C)cc1F.
What is the InChIKey of 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is QFTYQVYEQQUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNOS2/c1-10(2)5-6-4-7(9)8(12-6)13-11-3/h4H,5H2,1-3H3.
What are the key properties of 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine?
1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 221.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxysulfanylthiophen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 142522387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).