(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide

C7H10FNO2S2 — CID 146570551

IUPAC(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
SMILESCC(C)(O)c1cc(F)c([S@@](N)=O)s1
InChIInChI=1S/C7H10FNO2S2/c1-7(2,10)5-3-4(8)6(12-5)13(9)11/h3,10H,9H2,1-2H3/t13-/m0/s1
InChIKeyQTSCWRUVLSNLJI-ZDUSSCGKSA-N
MW223.29 g/mol
LogP1.10
Rot. Bonds2

About (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide

(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide (PubChem CID 146570551) has the molecular formula C7H10FNO2S2 and a molecular weight of 223.29 g/mol. Its IUPAC name is (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide.

Molecular Properties

Compound Name(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
PubChem CID146570551
Molecular FormulaC7H10FNO2S2
Molecular Weight223.29 g/mol
Exact Mass223.01
IUPAC Name(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
SMILESCC(C)(O)c1cc(F)c([S@@](N)=O)s1
InChIInChI=1S/C7H10FNO2S2/c1-7(2,10)5-3-4(8)6(12-5)13(9)11/h3,10H,9H2,1-2H3/t13-/m0/s1
InChIKeyQTSCWRUVLSNLJI-ZDUSSCGKSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
The IUPAC name of (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide (CID 146570551) is (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide.
What is the SMILES notation for (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
The canonical SMILES for (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide is CC(C)(O)c1cc(F)c([S@@](N)=O)s1.
What is the InChIKey of (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
The InChIKey is QTSCWRUVLSNLJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C7H10FNO2S2/c1-7(2,10)5-3-4(8)6(12-5)13(9)11/h3,10H,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide has a molecular weight of 223.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide is sourced from PubChem (CID 146570551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).