5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide

C8H11FN2O2S2 — CID 146611145

IUPAC5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(CN2CCC2)cc1F
InChIInChI=1S/C8H11FN2O2S2/c9-7-4-6(5-11-2-1-3-11)14-8(7)15(10,12)13/h4H,1-3,5H2,(H2,10,12,13)
InChIKeyPGZZSVRBRVOWHP-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.74
Rot. Bonds3

About 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide

5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide (PubChem CID 146611145) has the molecular formula C8H11FN2O2S2 and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
PubChem CID146611145
Molecular FormulaC8H11FN2O2S2
Molecular Weight250.32 g/mol
Exact Mass250.02
IUPAC Name5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(CN2CCC2)cc1F
InChIInChI=1S/C8H11FN2O2S2/c9-7-4-6(5-11-2-1-3-11)14-8(7)15(10,12)13/h4H,1-3,5H2,(H2,10,12,13)
InChIKeyPGZZSVRBRVOWHP-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(Piperidin-1-ylsulfonyl)thiophen-2-yl)methanamine
CID 16227277
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-sulfonamide
CID 137443212
5-((Dimethylamino)methyl)-3-fluorothiophene-2-sulfonyl chloride
CID 137443218
N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
CID 142522463
5-[(Cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
CID 146611524
1-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]azetidine
CID 152009603
(5-Chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium
CID 163871511
5-(azetidin-1-ylmethyl)-N-[tert-butyl(dimethyl)silyl]-3-fluorothiophene-2-sulfonamide
CID 167348199
1-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]-N-methylmethanamine
CID 169633150
5-[(2,2-Difluoroethylamino)methyl]thiophene-2-sulfonamide
CID 179070466

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide?
The IUPAC name of 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide (CID 146611145) is 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide is NS(=O)(=O)c1sc(CN2CCC2)cc1F.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide?
The InChIKey is PGZZSVRBRVOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S2/c9-7-4-6(5-11-2-1-3-11)14-8(7)15(10,12)13/h4H,1-3,5H2,(H2,10,12,13).
What are the key properties of 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide?
5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 146611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).