2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol

C16H19NO3S — CID 60898004

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol
SMILESO=S1(=O)CCC(NCC(O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H19NO3S/c18-16(10-17-15-7-8-21(19,20)11-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-18H,7-8,10-11H2
InChIKeyIGOHUYXIOGPMAW-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.65
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol

2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol (PubChem CID 60898004) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol
PubChem CID60898004
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol
SMILESO=S1(=O)CCC(NCC(O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H19NO3S/c18-16(10-17-15-7-8-21(19,20)11-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-18H,7-8,10-11H2
InChIKeyIGOHUYXIOGPMAW-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol 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

Pronethalol
CID 4930
Pronetalol, (R)-
CID 6604181
1-(2,5-Dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)methyl-methylamino]ethanol
CID 71988964
2-[1-[4-(Methylsulfonylmethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70529372
2-[2-[4-(Methylsulfonylmethyl)phenyl]propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70529373
2-[[1-Iodo-3-[4-(propan-2-ylsulfonylmethyl)phenyl]propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70529583
2-[1-[4-(Propan-2-ylsulfonylmethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70529621
2-[2-[4-(Propan-2-ylsulfonylmethyl)phenyl]propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70531223
2-(3-butylsulfanylpropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 3048818
Niosh/UB8418000
CID 13418343
(+)-Pronethalol
CID 25271722
2-[(1,1-Dioxothiolan-3-yl)amino]-1-(4-fluorophenyl)ethanol
CID 60714699

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol (CID 60898004) is 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol is O=S1(=O)CCC(NCC(O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol?
The InChIKey is IGOHUYXIOGPMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-16(10-17-15-7-8-21(19,20)11-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-18H,7-8,10-11H2.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol?
2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol has a molecular weight of 305.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60898004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).