4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol

C11H15NO4S — CID 114331750

IUPAC4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCc2ccc(O)cc2)C1
InChIInChI=1S/C11H15NO4S/c13-9-3-1-8(2-4-9)5-12-10-6-17(15,16)7-11(10)14/h1-4,10-14H,5-7H2
InChIKeyRIBLBDMRTZRTHJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.36
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol

4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol (PubChem CID 114331750) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
PubChem CID114331750
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCc2ccc(O)cc2)C1
InChIInChI=1S/C11H15NO4S/c13-9-3-1-8(2-4-9)5-12-10-6-17(15,16)7-11(10)14/h1-4,10-14H,5-7H2
InChIKeyRIBLBDMRTZRTHJ-UHFFFAOYSA-N
XLogP-0.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665713
4-[(3,4-dimethoxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665905
(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890029
(3R,4R)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890027
4-(1,2-oxazol-5-ylmethylamino)-1,1-dioxothiolan-3-ol
CID 106418044
4-[(2-ethylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 64681377
(3S,4S)-4-[(3-ethylsulfanylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 167925671
4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18558678
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
CID 61474115
(3S,4S)-4-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]-1,1-dioxothiolan-3-ol
CID 39794150
(3R,4R)-N-benzyl-1,1-dioxo-4-phenylthiolan-3-amine
CID 7138771

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol (CID 114331750) is 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol?
The InChIKey is RIBLBDMRTZRTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c13-9-3-1-8(2-4-9)5-12-10-6-17(15,16)7-11(10)14/h1-4,10-14H,5-7H2.
What are the key properties of 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol?
4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol has a molecular weight of 257.31 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 114331750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).