[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid

C8H10FNO4S2 — CID 146570580

IUPAC[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid
SMILESCC(C)(O)c1cc(F)c(S(=O)NC(=O)O)s1
InChIInChI=1S/C8H10FNO4S2/c1-8(2,13)5-3-4(9)6(15-5)16(14)10-7(11)12/h3,10,13H,1-2H3,(H,11,12)
InChIKeyDGRWCZYYMCCXON-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.40
Rot. Bonds3

About [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid

[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid (PubChem CID 146570580) has the molecular formula C8H10FNO4S2 and a molecular weight of 267.30 g/mol. Its IUPAC name is [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid.

Molecular Properties

Compound Name[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid
PubChem CID146570580
Molecular FormulaC8H10FNO4S2
Molecular Weight267.30 g/mol
Exact Mass267.00
IUPAC Name[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid
SMILESCC(C)(O)c1cc(F)c(S(=O)NC(=O)O)s1
InChIInChI=1S/C8H10FNO4S2/c1-8(2,13)5-3-4(9)6(15-5)16(14)10-7(11)12/h3,10,13H,1-2H3,(H,11,12)
InChIKeyDGRWCZYYMCCXON-UHFFFAOYSA-N
XLogP1.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.40
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
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
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
4-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146618217

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid?
The IUPAC name of [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid (CID 146570580) is [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid.
What is the SMILES notation for [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid?
The canonical SMILES for [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid is CC(C)(O)c1cc(F)c(S(=O)NC(=O)O)s1.
What is the InChIKey of [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid?
The InChIKey is DGRWCZYYMCCXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO4S2/c1-8(2,13)5-3-4(9)6(15-5)16(14)10-7(11)12/h3,10,13H,1-2H3,(H,11,12).
What are the key properties of [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid?
[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid has a molecular weight of 267.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfinylcarbamic acid is sourced from PubChem (CID 146570580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).