[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid

C8H11FN2O4S2 — CID 146570500

IUPAC[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=NC(=O)O)s1
InChIInChI=1S/C8H11FN2O4S2/c1-8(2,14)5-3-4(9)6(16-5)17(10,15)11-7(12)13/h3,14H,1-2H3,(H,12,13)(H2,10,11,15)
InChIKeyVCTGHYIEDCCSRN-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.49
Rot. Bonds2

About [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid

[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 146570500) has the molecular formula C8H11FN2O4S2 and a molecular weight of 282.32 g/mol. Its IUPAC name is [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID146570500
Molecular FormulaC8H11FN2O4S2
Molecular Weight282.32 g/mol
Exact Mass282.01
IUPAC Name[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESCC(C)(O)c1cc(F)c(S(N)(=O)=NC(=O)O)s1
InChIInChI=1S/C8H11FN2O4S2/c1-8(2,14)5-3-4(9)6(16-5)17(10,15)11-7(12)13/h3,14H,1-2H3,(H,12,13)(H2,10,11,15)
InChIKeyVCTGHYIEDCCSRN-UHFFFAOYSA-N
XLogP1.49
TPSA112.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.49
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
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
2-[5-(Aminosulfonimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
CID 146571381
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
N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]acetamide
CID 146617691

Frequently Asked Questions

What is the IUPAC name of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid (CID 146570500) is [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid is CC(C)(O)c1cc(F)c(S(N)(=O)=NC(=O)O)s1.
What is the InChIKey of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is VCTGHYIEDCCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O4S2/c1-8(2,14)5-3-4(9)6(16-5)17(10,15)11-7(12)13/h3,14H,1-2H3,(H,12,13)(H2,10,11,15).
What are the key properties of [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid?
[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 282.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 146570500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).