3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol

C10H11NO3S — CID 2332882

IUPAC3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol
SMILESO=S1(=O)C=C[C@@H](Nc2cccc(O)c2)C1
InChIInChI=1S/C10H11NO3S/c12-10-3-1-2-8(6-10)11-9-4-5-15(13,14)7-9/h1-6,9,11-12H,7H2/t9-/m1/s1
InChIKeyCIJZCFMWVLORSF-SECBINFHSA-N
MW225.27 g/mol
LogP1.11
Rot. Bonds2

About 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol

3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol (PubChem CID 2332882) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol.

Molecular Properties

Compound Name3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol
PubChem CID2332882
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol
SMILESO=S1(=O)C=C[C@@H](Nc2cccc(O)c2)C1
InChIInChI=1S/C10H11NO3S/c12-10-3-1-2-8(6-10)11-9-4-5-15(13,14)7-9/h1-6,9,11-12H,7H2/t9-/m1/s1
InChIKeyCIJZCFMWVLORSF-SECBINFHSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7126529
N-(3-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2830164
(3S,4R)-4-(3-hydroxyanilino)-1,1-dioxothiolan-3-ol
CID 7058971
(3S)-N-(4-ethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 1243726
4-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002545
3-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridin-4-amine
CID 104777130
2-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4,5-dimethylbenzene-1,2-diamine
CID 114281268
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
N-[(6-bromo-2-pyridinyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 112582461
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
CID 43771013
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107554116
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol?
The IUPAC name of 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol (CID 2332882) is 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol.
What is the SMILES notation for 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol?
The canonical SMILES for 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol is O=S1(=O)C=C[C@@H](Nc2cccc(O)c2)C1.
What is the InChIKey of 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol?
The InChIKey is CIJZCFMWVLORSF-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10-3-1-2-8(6-10)11-9-4-5-15(13,14)7-9/h1-6,9,11-12H,7H2/t9-/m1/s1.
What are the key properties of 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol?
3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol has a molecular weight of 225.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]phenol is sourced from PubChem (CID 2332882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).