4-(3-methylanilino)-1,1-dioxothiolan-3-ol

C11H15NO3S — CID 2818404

IUPAC4-(3-methylanilino)-1,1-dioxothiolan-3-ol
SMILESCc1cccc(NC2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C11H15NO3S/c1-8-3-2-4-9(5-8)12-10-6-16(14,15)7-11(10)13/h2-5,10-13H,6-7H2,1H3
InChIKeyDQYZGSUIDSLNGI-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.56
Rot. Bonds2

About 4-(3-methylanilino)-1,1-dioxothiolan-3-ol

4-(3-methylanilino)-1,1-dioxothiolan-3-ol (PubChem CID 2818404) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(3-methylanilino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-methylanilino)-1,1-dioxothiolan-3-ol
PubChem CID2818404
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-(3-methylanilino)-1,1-dioxothiolan-3-ol
SMILESCc1cccc(NC2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C11H15NO3S/c1-8-3-2-4-9(5-8)12-10-6-16(14,15)7-11(10)13/h2-5,10-13H,6-7H2,1H3
InChIKeyDQYZGSUIDSLNGI-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-hydroxy-4-(phenylamino)thiolane-1,1-dione
CID 2772257
4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
CID 2818401
3-Thiophenamine, tetrahydro-N-(4-methylphenyl)-, 1,1-dioxide
CID 2818402
N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2997953
(3S,4R)-3-hydroxy-4-[(4-methylphenyl)amino]thiolane-1,1-dione
CID 2046188
3-(p-Tolylamino)-2,3-dihydrothiophene 1,1-dioxide
CID 2818403
N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
CID 125979
3-Thiophenamine, tetrahydro-N-(3-methylphenyl)-, 1,1-dioxide
CID 3146697
1,1-Dioxo-4-[3-(trifluoromethyl)anilino]thiolan-3-ol
CID 4392594
1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-2-hydroxy-, monosodium salt
CID 23676159
3-(Benzylamino)-4-hydroxytetrahydrothiophene 1,1-dioxide
CID 3130260
Cambridge id 6122774
CID 4180912

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-methylanilino)-1,1-dioxothiolan-3-ol (CID 2818404) is 4-(3-methylanilino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-methylanilino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-methylanilino)-1,1-dioxothiolan-3-ol is Cc1cccc(NC2CS(=O)(=O)CC2O)c1.
What is the InChIKey of 4-(3-methylanilino)-1,1-dioxothiolan-3-ol?
The InChIKey is DQYZGSUIDSLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-3-2-4-9(5-8)12-10-6-16(14,15)7-11(10)13/h2-5,10-13H,6-7H2,1H3.
What are the key properties of 4-(3-methylanilino)-1,1-dioxothiolan-3-ol?
4-(3-methylanilino)-1,1-dioxothiolan-3-ol has a molecular weight of 241.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2818404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).