(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride

C10H14ClNO3S — CID 21206268

IUPAC(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride
SMILESO=S1(=O)CCC([NH2+]c2cccc(O)c2)C1.[Cl-]
InChIInChI=1S/C10H13NO3S.ClH/c12-10-3-1-2-8(6-10)11-9-4-5-15(13,14)7-9;/h1-3,6,9,11-12H,4-5,7H2;1H
InChIKeyNYOFYGCLXKBXAC-UHFFFAOYSA-N
MW263.75 g/mol
LogP-3.22
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride

(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride (PubChem CID 21206268) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride
PubChem CID21206268
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride
SMILESO=S1(=O)CCC([NH2+]c2cccc(O)c2)C1.[Cl-]
InChIInChI=1S/C10H13NO3S.ClH/c12-10-3-1-2-8(6-10)11-9-4-5-15(13,14)7-9;/h1-3,6,9,11-12H,4-5,7H2;1H
InChIKeyNYOFYGCLXKBXAC-UHFFFAOYSA-N
XLogP-3.22
TPSA70.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 5-3.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(1,1-dioxothiolan-3-yl)-1-hydroxyethyl]phenol
CID 115047818
N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 63921976
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]phenol
CID 60733467
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 95310508
3-[5-[(1,1-dioxothiolan-3-yl)amino]-1,3,4-oxadiazol-2-yl]phenol
CID 110456257
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7696336
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 118771156
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
benzene-1,3-diol;tris(yttrium)
CID 23386139

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride (CID 21206268) is (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride is O=S1(=O)CCC([NH2+]c2cccc(O)c2)C1.[Cl-].
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride?
The InChIKey is NYOFYGCLXKBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.ClH/c12-10-3-1-2-8(6-10)11-9-4-5-15(13,14)7-9;/h1-3,6,9,11-12H,4-5,7H2;1H.
What are the key properties of (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride?
(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride has a molecular weight of 263.75 g/mol, XLogP of -3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride is sourced from PubChem (CID 21206268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).