2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol

C7H11FN2O2S2 — CID 146571381

IUPAC2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C7H11FN2O2S2/c1-7(2,11)5-3-4(8)6(13-5)14(9,10)12/h3,11H,1-2H3,(H3,9,10,12)
InChIKeyFYBQEQBGSCXFJG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.39
Rot. Bonds2

About 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol

2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol (PubChem CID 146571381) has the molecular formula C7H11FN2O2S2 and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
PubChem CID146571381
Molecular FormulaC7H11FN2O2S2
Molecular Weight238.31 g/mol
Exact Mass238.02
IUPAC Name2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C7H11FN2O2S2/c1-7(2,11)5-3-4(8)6(13-5)14(9,10)12/h3,11H,1-2H3,(H3,9,10,12)
InChIKeyFYBQEQBGSCXFJG-UHFFFAOYSA-N
XLogP1.39
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 137459115
3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 142522466
[Amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]carbamic acid
CID 146570500
2-(4-Fluorothiophen-2-yl)propan-2-ol
CID 146570514
3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinic acid
CID 146570527
tert-butyl N-[(S)-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinyl]carbamate
CID 146570539
(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146570551
[3-Fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid
CID 146570580
5-(1,2-Dihydroxypropan-2-yl)-3-fluorothiophene-2-sulfonamide
CID 146571389
5-[(2S)-1,2-dihydroxypropan-2-yl]-3-fluorothiophene-2-sulfonamide
CID 146571390
[[3-Fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-(methylamino)-oxo-lambda6-sulfanylidene]urea
CID 146617433
[Amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]urea
CID 146617477

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol (CID 146571381) is 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol is [H]N=S(N)(=O)c1sc(C(C)(C)O)cc1F.
What is the InChIKey of 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
The InChIKey is FYBQEQBGSCXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O2S2/c1-7(2,11)5-3-4(8)6(13-5)14(9,10)12/h3,11H,1-2H3,(H3,9,10,12).
What are the key properties of 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol is sourced from PubChem (CID 146571381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).