4-anilino-1,1-dioxothiolan-3-ol

C10H13NO3S — CID 2818401

IUPAC4-anilino-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKeyLNXAOEGYXCYWDV-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.26
Rot. Bonds2

About 4-anilino-1,1-dioxothiolan-3-ol

4-anilino-1,1-dioxothiolan-3-ol (PubChem CID 2818401) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-anilino-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-anilino-1,1-dioxothiolan-3-ol
PubChem CID2818401
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name4-anilino-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKeyLNXAOEGYXCYWDV-UHFFFAOYSA-N
XLogP0.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
1-(4-Hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-1-(2-hydroxyethyl)-3-phenylthiourea
CID 3501515
4-(4-Chloro-phenylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 3154107
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
CID 2831180
(3S,4R)-3-hydroxy-4-(phenylamino)thiolane-1,1-dione
CID 2772257
Thiophene-3-ol, 4-[(2-chlorophenyl)amino]tetrahydro-, 1,1-dioxide
CID 2830165
(3S,4R)-4-(4-Chloro-phenylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 6974601
Sbb041414
CID 2818404
3-Anilino-1lambda~6~-thiolane-1,1-dione
CID 2897761
2-Propanol, 1-(p-sulfanilylanilino)-
CID 3063463
(3S,4R)-3-hydroxy-4-[(4-methylphenyl)amino]thiolane-1,1-dione
CID 2046188
N-(1,1-dioxothiolan-3-yl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 51108552

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-anilino-1,1-dioxothiolan-3-ol (CID 2818401) is 4-anilino-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-anilino-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-anilino-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(Nc2ccccc2)C1.
What is the InChIKey of 4-anilino-1,1-dioxothiolan-3-ol?
The InChIKey is LNXAOEGYXCYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-10-7-15(13,14)6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2.
What are the key properties of 4-anilino-1,1-dioxothiolan-3-ol?
4-anilino-1,1-dioxothiolan-3-ol has a molecular weight of 227.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2818401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).